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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166 – 169 of 169 results

166

N-Ethyl-5-phenylisoxazolium-3'-sulfonate 95%, Thermo Scientific™

CAS: 4156-16-5 Molecular Formula: C11H11NO4S Molecular Weight (g/mol): 253.272 MDL Number: MFCD00012128 InChI Key: MWOOKDULMBMMPN-UHFFFAOYSA-N Synonym: woodward's reagent k,n-ethyl-5-phenylisoxazolium-3'-sulfonate,2-ethyl-5-phenylisoxazolium-3'-sulfonate,nepis,unii-3bn309r76h,2-ethyl-5-3-sulfonatophenyl-1,2-oxazol-2-ium,woodward's reagent potassium,2-ethyl-5-phenylisoxazolium-3'-sulphonate,n-ethyl-5-phenylisoxazolium-3/'-sulfonate PubChem CID: 77804 IUPAC Name: 3-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate SMILES: CC[N+]1=CC=C(O1)C2=CC(=CC=C2)S(=O)(=O)[O-]

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Specifications

PubChem CID	77804
CAS	4156-16-5
Molecular Weight (g/mol)	253.272
MDL Number	MFCD00012128
SMILES	CC[N+]1=CC=C(O1)C2=CC(=CC=C2)S(=O)(=O)[O-]
Synonym	woodward's reagent k,n-ethyl-5-phenylisoxazolium-3'-sulfonate,2-ethyl-5-phenylisoxazolium-3'-sulfonate,nepis,unii-3bn309r76h,2-ethyl-5-3-sulfonatophenyl-1,2-oxazol-2-ium,woodward's reagent potassium,2-ethyl-5-phenylisoxazolium-3'-sulphonate,n-ethyl-5-phenylisoxazolium-3/'-sulfonate
IUPAC Name	3-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate
InChI Key	MWOOKDULMBMMPN-UHFFFAOYSA-N
Molecular Formula	C11H11NO4S

167

5-Methyl-3-phenylisoxazole-4-carbonyl chloride, 99%, Thermo Scientific™

CAS: 16883-16-2 Molecular Formula: C11H8ClNO2 Molecular Weight (g/mol): 221.64 MDL Number: MFCD00052205 InChI Key: HXEVQMXCHCDPSO-UHFFFAOYSA-N Synonym: 5-methyl-3-phenylisoxazole-4-carbonyl chloride,pmic chloride,unii-97ot2t1w6v,3-phenyl-5-methylisoxazole-4-carbonyl chloride,4-isoxazolecarbonyl chloride, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarbonyl chloride,3-phenyl-5-methyl-isoxazole-4-carbonyl,pubchem8723,acmc-20am25,dsstox_cid_31452 PubChem CID: 85624 IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)Cl

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Specifications

PubChem CID	85624
CAS	16883-16-2
Molecular Weight (g/mol)	221.64
MDL Number	MFCD00052205
SMILES	CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)Cl
Synonym	5-methyl-3-phenylisoxazole-4-carbonyl chloride,pmic chloride,unii-97ot2t1w6v,3-phenyl-5-methylisoxazole-4-carbonyl chloride,4-isoxazolecarbonyl chloride, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarbonyl chloride,3-phenyl-5-methyl-isoxazole-4-carbonyl,pubchem8723,acmc-20am25,dsstox_cid_31452
IUPAC Name	5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride
InChI Key	HXEVQMXCHCDPSO-UHFFFAOYSA-N
Molecular Formula	C11H8ClNO2

168

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

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Specifications

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

169

PD 144418 oxalate, Tocris Bioscience™

CAS: 1794760-28-3 Molecular Formula: C20H24N2O5 Molecular Weight (g/mol): 372.421 InChI Key: IWSFHSVGBKPYFN-UHFFFAOYSA-N Synonym: pd 144418 oxalate,1,2,3,6-tetrahydro-5-3-4-methylphenyl-5-isoxazolyl-1-propylpyridine oxalate,pyridine,1,2,3,6-tetrahydro-5-3-4-methylphenyl-5-isoxazolyl-1-propyl,3-3-4-methylphenyl-1,2-oxazol-5-yl-1-propyl-5,6-dihydro-2h-pyridine; oxalic acid,oxalic acid-5-3-4-methylphenyl-1,2-oxazol-5-yl-1-propyl-1,2,3,6-tetrahydropyridine 1/1 PubChem CID: 53447361 IUPAC Name: 3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole;oxalic acid SMILES: CCCN1CCC=C(C1)C2=CC(=NO2)C3=CC=C(C=C3)C.C(=O)(C(=O)O)O

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Specifications

PubChem CID	53447361
CAS	1794760-28-3
Molecular Weight (g/mol)	372.421
SMILES	CCCN1CCC=C(C1)C2=CC(=NO2)C3=CC=C(C=C3)C.C(=O)(C(=O)O)O
Synonym	pd 144418 oxalate,1,2,3,6-tetrahydro-5-3-4-methylphenyl-5-isoxazolyl-1-propylpyridine oxalate,pyridine,1,2,3,6-tetrahydro-5-3-4-methylphenyl-5-isoxazolyl-1-propyl,3-3-4-methylphenyl-1,2-oxazol-5-yl-1-propyl-5,6-dihydro-2h-pyridine; oxalic acid,oxalic acid-5-3-4-methylphenyl-1,2-oxazol-5-yl-1-propyl-1,2,3,6-tetrahydropyridine 1/1
IUPAC Name	3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole;oxalic acid
InChI Key	IWSFHSVGBKPYFN-UHFFFAOYSA-N
Molecular Formula	C20H24N2O5

Isoxazoles

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