N-benzyl-N-butyl-3-{5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl}propanamide

• ChemBase ID: 625581
• Molecular Formular: C24H29N3O3
• Molecular Mass: 407.50536
• Monoisotopic Mass: 407.2208918
• SMILES: c1(nnc(o1)CCC(=O)N(Cc1ccccc1)CCCC)C(c1ccccc1)OC
• Canonical SMILES: CCCCN(C(=O)CCc1nnc(o1)C(c1ccccc1)OC)Cc1ccccc1
• InChI: InChI=1S/C24H29N3O3/c1-3-4-17-27(18-19-11-7-5-8-12-19)22(28)16-15-21-25-26-24(30-21)23(29-2)20-13-9-6-10-14-20/h5-14,23H,3-4,15-18H2,1-2H3
• InChIKey: JQDGFJWBAFZWGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-butyl-3-{5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl}propanamide
• IUPAC Traditional name: N-benzyl-N-butyl-3-{5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl}propanamide
• Synonyms: N-benzyl-N-butyl-3-{5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl}propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.476767
• LogD (pH = 7.4): 3.4767673
• Log P: 3.4767673
• Molar Refractivity: 117.6714 cm^3
• Polarizability: 44.925106 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.85
• LOG S: -4.61
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 8