methyl[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amine

• ChemBase ID: 310370
• Molecular Formular: C10H11N3O
• Molecular Mass: 189.21384
• Monoisotopic Mass: 189.09021199
• SMILES: n1c(oc(n1)CNC)c1ccccc1
• Canonical SMILES: CNCc1nnc(o1)c1ccccc1
• InChI: InChI=1S/C10H11N3O/c1-11-7-9-12-13-10(14-9)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3
• InChIKey: WVVQCQZLRFXKEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amine
• IUPAC Traditional name: methyl[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amine
• Synonyms: N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine

Database IDs

• CAS Number: 880361-90-0
• MDL Number: MFCD07186444

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3558649
• LogD (pH = 7.4): 0.26522696
• Log P: 0.6109711
• Molar Refractivity: 64.6602 cm^3
• Polarizability: 20.922108 Å^3
• Polar Surface Area: 50.95 Å^2