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Isoxazoles

Aromatic organic heterocyclic compounds that consist of an azole with a nitrogen atom and an oxygen atom with the formula: C3H3NO.

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1

3-Hydroxy-5-methylisoxazole, 97%

CAS: 10004-44-1 Molecular Formula: C4H5NO2 Molecular Weight (g/mol): 99.089 MDL Number: MFCD00144468 InChI Key: KGVPNLBXJKTABS-UHFFFAOYSA-N Synonym: hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone PubChem CID: 24781 ChEBI: CHEBI:5827 IUPAC Name: 5-methyl-1,2-oxazol-3-one SMILES: CC1=CC(=O)NO1

PubChem CID 24781
CAS 10004-44-1
Molecular Weight (g/mol) 99.089
ChEBI CHEBI:5827
MDL Number MFCD00144468
SMILES CC1=CC(=O)NO1
Synonym hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone
IUPAC Name 5-methyl-1,2-oxazol-3-one
InChI Key KGVPNLBXJKTABS-UHFFFAOYSA-N
Molecular Formula C4H5NO2
2

Isoxazole-3-carboxylic acid, 97%

CAS: 3209-71-0 Molecular Formula: C4H3NO3 Molecular Weight (g/mol): 113.07 MDL Number: MFCD06738796 InChI Key: UXYRXGFUANQKTA-UHFFFAOYSA-N Synonym: 3-isoxazolecarboxylic acid,isoxazole-3-carboxylic acid,isoxazole-3-carboxylicacid,3-isoxazolecarboxylicacid,3-carboxyisoxazole,isoxazole-3-carboxylic,pubchem12341,acmc-209hqw,ksc222a3r,aronis24546 PubChem CID: 11286453 IUPAC Name: 1,2-oxazole-3-carboxylic acid SMILES: OC(=O)C1=NOC=C1

PubChem CID 11286453
CAS 3209-71-0
Molecular Weight (g/mol) 113.07
MDL Number MFCD06738796
SMILES OC(=O)C1=NOC=C1
Synonym 3-isoxazolecarboxylic acid,isoxazole-3-carboxylic acid,isoxazole-3-carboxylicacid,3-isoxazolecarboxylicacid,3-carboxyisoxazole,isoxazole-3-carboxylic,pubchem12341,acmc-209hqw,ksc222a3r,aronis24546
IUPAC Name 1,2-oxazole-3-carboxylic acid
InChI Key UXYRXGFUANQKTA-UHFFFAOYSA-N
Molecular Formula C4H3NO3
3

Isoxazole-5-carbonyl chloride, 97%

CAS: 62348-13-4 Molecular Formula: C4H2ClNO2 Molecular Weight (g/mol): 131.52 MDL Number: MFCD00067868 InChI Key: NASLINFISOTVJJ-UHFFFAOYSA-N Synonym: isoxazole-5-carbonyl chloride,5-isoxazolecarbonyl chloride,isoxazole-5-carbonylchloride,isoxazole-5-carboxylic acid chloride,acmc-1bhwq,5-isoxazolecarbonylchloride,isoxazol-5-carbonyl chloride,isoxazole-5-carbonyl-chloride,5-isoxazolecarbonyl chloride 9ci PubChem CID: 2736707 IUPAC Name: 1,2-oxazole-5-carbonyl chloride SMILES: ClC(=O)C1=CC=NO1

PubChem CID 2736707
CAS 62348-13-4
Molecular Weight (g/mol) 131.52
MDL Number MFCD00067868
SMILES ClC(=O)C1=CC=NO1
Synonym isoxazole-5-carbonyl chloride,5-isoxazolecarbonyl chloride,isoxazole-5-carbonylchloride,isoxazole-5-carboxylic acid chloride,acmc-1bhwq,5-isoxazolecarbonylchloride,isoxazol-5-carbonyl chloride,isoxazole-5-carbonyl-chloride,5-isoxazolecarbonyl chloride 9ci
IUPAC Name 1,2-oxazole-5-carbonyl chloride
InChI Key NASLINFISOTVJJ-UHFFFAOYSA-N
Molecular Formula C4H2ClNO2
4

3-(Bromomethyl)-5-methylisoxazole, 97%, Thermo Scientific™

CAS: 130628-75-0 Molecular Formula: C5H6BrNO Molecular Weight (g/mol): 176.01 MDL Number: MFCD02677720 InChI Key: ASGJFGPILHALRC-UHFFFAOYSA-N Synonym: 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle PubChem CID: 2776304 IUPAC Name: 3-(bromomethyl)-5-methyl-1,2-oxazole SMILES: CC1=CC(CBr)=NO1

PubChem CID 2776304
CAS 130628-75-0
Molecular Weight (g/mol) 176.01
MDL Number MFCD02677720
SMILES CC1=CC(CBr)=NO1
Synonym 3-bromomethyl-5-methylisoxazole,3-bromomethyl-5-methyl-1,2-oxazole,3-bromomethyl-5-methyl-isoxazole,isoxazole,3-bromomethyl-5-methyl,zlchem 1313,acmc-1ca86,3-bromomethyl-5-methylisoxazol,5-brimomethyl-3-methylisoxazle
IUPAC Name 3-(bromomethyl)-5-methyl-1,2-oxazole
InChI Key ASGJFGPILHALRC-UHFFFAOYSA-N
Molecular Formula C5H6BrNO
5

(5-Phenylisoxazol-3-yl)methanol, 97%, Thermo Scientific™

CAS: 1619-37-0 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD01444104 InChI Key: BPAFLGGUEBMWRN-UHFFFAOYSA-N PubChem CID: 1481082 IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methanol SMILES: C1=CC=C(C=C1)C2=CC(=NO2)CO

PubChem CID 1481082
CAS 1619-37-0
Molecular Weight (g/mol) 175.187
MDL Number MFCD01444104
SMILES C1=CC=C(C=C1)C2=CC(=NO2)CO
IUPAC Name (5-phenyl-1,2-oxazol-3-yl)methanol
InChI Key BPAFLGGUEBMWRN-UHFFFAOYSA-N
Molecular Formula C10H9NO2
7

Ethyl 5-methylisoxazole-4-carboxylate, 96%, Thermo Scientific™

CAS: 51135-73-0 Molecular Formula: C7H9NO3 Molecular Weight (g/mol): 155.153 MDL Number: MFCD01631119 InChI Key: KOMSQTMQKWSQDW-UHFFFAOYSA-N Synonym: ethyl 5-methylisoxazole-4-carboxylate,5-methyl-4-isoxazolecarboxylate,ethyl 5-methyl-4-isoxazolecarboxylate,5-methylisoxazole-4-carboxylic acid ethyl ester,acmc-20aky5,ethyl5-methylisoxazole-4-carboxylate,ethyl-5-methylisoxazole-4-carboxylate,ethyl 5-methylisoxazol-4-yl carboxylate,ethyl 5-m+c3117ethyl-4-isoxazolecarboxylate PubChem CID: 7009317 IUPAC Name: ethyl 5-methyl-1,2-oxazole-4-carboxylate SMILES: CCOC(=O)C1=C(ON=C1)C

PubChem CID 7009317
CAS 51135-73-0
Molecular Weight (g/mol) 155.153
MDL Number MFCD01631119
SMILES CCOC(=O)C1=C(ON=C1)C
Synonym ethyl 5-methylisoxazole-4-carboxylate,5-methyl-4-isoxazolecarboxylate,ethyl 5-methyl-4-isoxazolecarboxylate,5-methylisoxazole-4-carboxylic acid ethyl ester,acmc-20aky5,ethyl5-methylisoxazole-4-carboxylate,ethyl-5-methylisoxazole-4-carboxylate,ethyl 5-methylisoxazol-4-yl carboxylate,ethyl 5-m+c3117ethyl-4-isoxazolecarboxylate
IUPAC Name ethyl 5-methyl-1,2-oxazole-4-carboxylate
InChI Key KOMSQTMQKWSQDW-UHFFFAOYSA-N
Molecular Formula C7H9NO3
8

Ethyl 3-ethyl-5-methylisoxazole-4-carboxylate, 98%, Thermo Scientific™

CAS: 53064-41-8 Molecular Formula: C9H13NO3 Molecular Weight (g/mol): 183.207 MDL Number: MFCD00014094 InChI Key: JDWLDZUUTIPZHV-UHFFFAOYSA-N Synonym: ethyl 3-ethyl-5-methylisoxazole-4-carboxylate,ethyl 3-ethyl-5-methyl-4-isoxazolecarboxylate,3-ethyl-5-methyl-4-isoxazolecarboxylicacid ethylester,3-ethyl-5-methyl-isoxazole-4-carboxylic acid ethyl ester,acmc-1b03d,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl-, ethyl ester PubChem CID: 3745090 IUPAC Name: ethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate SMILES: CCC1=NOC(=C1C(=O)OCC)C

PubChem CID 3745090
CAS 53064-41-8
Molecular Weight (g/mol) 183.207
MDL Number MFCD00014094
SMILES CCC1=NOC(=C1C(=O)OCC)C
Synonym ethyl 3-ethyl-5-methylisoxazole-4-carboxylate,ethyl 3-ethyl-5-methyl-4-isoxazolecarboxylate,3-ethyl-5-methyl-4-isoxazolecarboxylicacid ethylester,3-ethyl-5-methyl-isoxazole-4-carboxylic acid ethyl ester,acmc-1b03d,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl-, ethyl ester
IUPAC Name ethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
InChI Key JDWLDZUUTIPZHV-UHFFFAOYSA-N
Molecular Formula C9H13NO3
9

5-Methylisoxazole-4-carboxylic acid, 98+%, Thermo Scientific™

CAS: 42831-50-5 Molecular Formula: C5H4NO3 Molecular Weight (g/mol): 126.09 MDL Number: MFCD00955655 InChI Key: VQBXUKGMJCPBMF-UHFFFAOYSA-M Synonym: 5-methylisoxazole-4-carboxylic acid,5-methyl-4-isoxazolecarboxylic acid,unii-bl2q213q2m,4-isoxazolecarboxylic acid, 5-methyl,5-methylisoxazole-4-carboxylicacid,leflunomide impurity d ep,pubchem8652,leflunomide impurity d,acmc-209jr8,ksc235o3b PubChem CID: 1425240 SMILES: CC1=C(C=NO1)C([O-])=O

PubChem CID 1425240
CAS 42831-50-5
Molecular Weight (g/mol) 126.09
MDL Number MFCD00955655
SMILES CC1=C(C=NO1)C([O-])=O
Synonym 5-methylisoxazole-4-carboxylic acid,5-methyl-4-isoxazolecarboxylic acid,unii-bl2q213q2m,4-isoxazolecarboxylic acid, 5-methyl,5-methylisoxazole-4-carboxylicacid,leflunomide impurity d ep,pubchem8652,leflunomide impurity d,acmc-209jr8,ksc235o3b
InChI Key VQBXUKGMJCPBMF-UHFFFAOYSA-M
Molecular Formula C5H4NO3
10

3-Methyl-5-isoxazoleacetic acid, 98%, Thermo Scientific™

CAS: 19668-85-0 Molecular Formula: C6H7NO3 Molecular Weight (g/mol): 141.13 MDL Number: MFCD01863539 InChI Key: POEFJFLAFQWOTL-UHFFFAOYSA-N Synonym: 2-3-methylisoxazol-5-yl acetic acid,3-methyl-5-isoxazoleacetic acid,5-isoxazoleacetic acid, 3-methyl,2-3-methyl-1,2-oxazol-5-yl acetic acid,3-methyl-1,2-oxazol-5-yl acetic acid,5-isoxazoleacetic acid,3-methyl,zlchem 1304,3-methyl-5-isoxazole acetic acid,3-methyl-isoxazol-5-yl-acetic acid,5-carboxymethyl-3-methylisoxazole PubChem CID: 4195532 IUPAC Name: 2-(3-methyl-1,2-oxazol-5-yl)acetic acid SMILES: CC1=NOC(=C1)CC(=O)O

PubChem CID 4195532
CAS 19668-85-0
Molecular Weight (g/mol) 141.13
MDL Number MFCD01863539
SMILES CC1=NOC(=C1)CC(=O)O
Synonym 2-3-methylisoxazol-5-yl acetic acid,3-methyl-5-isoxazoleacetic acid,5-isoxazoleacetic acid, 3-methyl,2-3-methyl-1,2-oxazol-5-yl acetic acid,3-methyl-1,2-oxazol-5-yl acetic acid,5-isoxazoleacetic acid,3-methyl,zlchem 1304,3-methyl-5-isoxazole acetic acid,3-methyl-isoxazol-5-yl-acetic acid,5-carboxymethyl-3-methylisoxazole
IUPAC Name 2-(3-methyl-1,2-oxazol-5-yl)acetic acid
InChI Key POEFJFLAFQWOTL-UHFFFAOYSA-N
Molecular Formula C6H7NO3