N-(3-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide

• ChemBase ID: 311382
• Molecular Formular: C11H10N2O3
• Molecular Mass: 218.2087
• Monoisotopic Mass: 218.06914219
• SMILES: c1(C(=O)Nc2cc(O)ccc2)onc(c1)C
• Canonical SMILES: Oc1cccc(c1)NC(=O)c1onc(c1)C
• InChI: InChI=1S/C11H10N2O3/c1-7-5-10(16-13-7)11(15)12-8-3-2-4-9(14)6-8/h2-6,14H,1H3,(H,12,15)
• InChIKey: YDKYDNXYHUEWEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
• IUPAC Traditional name: N-(3-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
• Synonyms: N-(3-hydroxyphenyl)-3-methyl-5-isoxazolecarboxamide

Database IDs

• CAS Number: 64384-94-7
• MDL Number: MFCD08106053

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1773955
• LogD (pH = 7.4): 1.170707
• Log P: 1.177482
• Molar Refractivity: 59.4834 cm^3
• Polarizability: 21.347647 Å^3
• Polar Surface Area: 75.36 Å^2