chempirical

2-Phenyl-5-methyloxazole-4-acetic acid

C12H11NO3CAS 107367-98-6217.22 g/mol

Open in Covalent MOL file
ONOHO
Carboxylic acid

Properties

Molecular formula
C12H11NO3
Molar mass
217.22 g/mol
Exact mass
217.0739 Da
Melting point
126–127 °C
logP
2.28Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
107367-98-6
SMILES
Cc1oc(-c2ccccc2)nc1CC(=O)O
InChIKey
XEWJNPORMBGGKZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H11NO3/c1-8-10(7-11(14)15)13-12(16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 4-Oxazoleacetic acid, 5-methyl-2-phenyl-
  • 5-Methyl-2-phenyl-4-oxazoleacetic acid
  • 5-Methyl-2-phenyloxazol-4-ylacetic acid
  • 2-(5-Methyl-2-phenyloxazol-4-yl)acetic acid
  • (5-Methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid
  • 2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid

Work with 2-Phenyl-5-methyloxazole-4-acetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate103788-64-364 % similar 2-(5-Methyl-2-phenyl-4-oxazolyl)ethanol103788-65-458 % similar 2-(5-Methyl-2-phenylthiazole-4-yl)acetic acid101736-22-553 % similar Felbinac5728-52-945 % similar 1,2-Benzisoxazole-3-acetic acid4865-84-343 % similar Phenylacetic acid103-82-243 % similar Oxaprozin21256-18-841 % similar (2-Methylphenyl)acetic acid644-36-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl N-(7-hydroxy-1-naphthalenyl)carbamate132-63-8 Oxazolone15646-46-5 Ethyl 3-cyano-3-phenylpyruvate6362-63-6 Ethyl 5-phenylisoxazole-3-carboxylate7063-99-2

Elsewhere

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