4-methyl-1,3-benzoxazol-2-amine

• ChemBase ID: 309051
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: n1c(oc2c1c(ccc2)C)N
• Canonical SMILES: Nc1oc2c(n1)c(C)ccc2
• InChI: InChI=1S/C8H8N2O/c1-5-3-2-4-6-7(5)10-8(9)11-6/h2-4H,1H3,(H2,9,10)
• InChIKey: MIAUDOAQZUOHJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1,3-benzoxazol-2-amine
• IUPAC Traditional name: 4-methyl-1,3-benzoxazol-2-amine
• Synonyms: 4-methyl-1,3-benzoxazol-2-amine

Database IDs

• CAS Number: 947504-99-6
• MDL Number: MFCD11844835

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6880295
• LogD (pH = 7.4): 1.6886035
• Log P: 1.6886108
• Molar Refractivity: 41.938 cm^3
• Polarizability: 16.723999 Å^3
• Polar Surface Area: 52.05 Å^2