2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)aniline

• ChemBase ID: 120646
• Molecular Formular: C15H14N2O2
• Molecular Mass: 254.28386
• Monoisotopic Mass: 254.1055277
• SMILES: n1c(oc2c1cc(cc2)C)c1cc(c(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1N)c1nc2c(o1)ccc(c2)C
• InChI: InChI=1S/C15H14N2O2/c1-9-3-5-14-12(7-9)17-15(19-14)10-4-6-13(18-2)11(16)8-10/h3-8H,16H2,1-2H3
• InChIKey: KZEVRQKQRHFTCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
• IUPAC Traditional name: 2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
• Synonyms: 2-methoxy-5-(5-methylbenzo[d]oxazol-2-yl)aniline

Database IDs

• PubChem SID: 162214999
• PubChem CID: 762777

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8684773
• LogD (pH = 7.4): 2.871422
• Log P: 2.8714597
• Molar Refractivity: 84.0295 cm^3
• Polarizability: 29.54724 Å^3
• Polar Surface Area: 61.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true