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

• ChemBase ID: 312159
• Molecular Formular: C14H12N2O
• Molecular Mass: 224.25788
• Monoisotopic Mass: 224.09496301
• SMILES: c1(nc2c(o1)cc(N)cc2)c1c(C)cccc1
• Canonical SMILES: Nc1ccc2c(c1)oc(n2)c1ccccc1C
• InChI: InChI=1S/C14H12N2O/c1-9-4-2-3-5-11(9)14-16-12-7-6-10(15)8-13(12)17-14/h2-8H,15H2,1H3
• InChIKey: XWTBDODSQMSQHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 775302-22-2
• MDL Number: MFCD06757917

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0284383
• LogD (pH = 7.4): 3.0291224
• Log P: 3.0291312
• Molar Refractivity: 77.5663 cm^3
• Polarizability: 27.064236 Å^3
• Polar Surface Area: 52.05 Å^2