2-(3-methylphenyl)-1,3-benzoxazol-6-amine

• ChemBase ID: 312192
• Molecular Formular: C14H12N2O
• Molecular Mass: 224.25788
• Monoisotopic Mass: 224.09496301
• SMILES: c1(nc2c(o1)cc(N)cc2)c1cc(ccc1)C
• Canonical SMILES: Nc1ccc2c(c1)oc(n2)c1cccc(c1)C
• InChI: InChI=1S/C14H12N2O/c1-9-3-2-4-10(7-9)14-16-12-6-5-11(15)8-13(12)17-14/h2-8H,15H2,1H3
• InChIKey: CIXYEVORGNXLAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylphenyl)-1,3-benzoxazol-6-amine
• IUPAC Traditional name: 2-(3-methylphenyl)-1,3-benzoxazol-6-amine
• Synonyms: 2-(3-methylphenyl)-1,3-benzoxazol-6-amine

Database IDs

• CAS Number: 890985-45-2
• MDL Number: MFCD07113584

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0284386
• LogD (pH = 7.4): 3.0291224
• Log P: 3.0291312
• Molar Refractivity: 77.5663 cm^3
• Polarizability: 27.064169 Å^3
• Polar Surface Area: 52.05 Å^2