4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine

• ChemBase ID: 306891
• Molecular Formular: C11H12N2O2
• Molecular Mass: 204.22518
• Monoisotopic Mass: 204.08987763
• SMILES: c1(c(onc1C)N)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1c(N)onc1C
• InChI: InChI=1S/C11H12N2O2/c1-7-10(11(12)15-13-7)8-3-5-9(14-2)6-4-8/h3-6H,12H2,1-2H3
• InChIKey: UKVNWFLUOHWKPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
• IUPAC Traditional name: 4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
• Synonyms: 4-(4-methoxyphenyl)-3-methylisoxazol-5-amine

Database IDs

• CAS Number: 902835-79-4
• MDL Number: MFCD07368311

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2185445
• LogD (pH = 7.4): 1.2190738
• Log P: 1.2190806
• Molar Refractivity: 57.6446 cm^3
• Polarizability: 22.672195 Å^3
• Polar Surface Area: 61.28 Å^2