benzyl({[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl})methylamine

• ChemBase ID: 406272
• Molecular Formular: C24H23N3O
• Molecular Mass: 369.45892
• Monoisotopic Mass: 369.18411237
• SMILES: c1(nc(on1)CN(Cc1ccccc1)C)C(c1ccccc1)c1ccccc1
• Canonical SMILES: CN(Cc1onc(n1)C(c1ccccc1)c1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C24H23N3O/c1-27(17-19-11-5-2-6-12-19)18-22-25-24(26-28-22)23(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,23H,17-18H2,1H3
• InChIKey: NLLRFTVMSPBYDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl({[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl})methylamine
• IUPAC Traditional name: benzyl({[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl})methylamine
• Synonyms: N-benzyl-1-[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.5898
• LogD (pH = 7.4): 5.578339
• Log P: 5.6297703
• Molar Refractivity: 113.1722 cm^3
• Polarizability: 43.05432 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.37
• LOG S: -4.38
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 7