4-benzyl-1-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl}pyrrolidin-2-one

• ChemBase ID: 339888
• Molecular Formular: C19H18N4O2
• Molecular Mass: 334.37182
• Monoisotopic Mass: 334.14297584
• SMILES: c1(nnc(o1)CN1C(=O)CC(C1)Cc1ccccc1)c1cnccc1
• Canonical SMILES: O=C1CC(CN1Cc1nnc(o1)c1cccnc1)Cc1ccccc1
• InChI: InChI=1S/C19H18N4O2/c24-18-10-15(9-14-5-2-1-3-6-14)12-23(18)13-17-21-22-19(25-17)16-7-4-8-20-11-16/h1-8,11,15H,9-10,12-13H2
• InChIKey: OWHOGDQKAIXDES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-benzyl-1-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl}pyrrolidin-2-one
• IUPAC Traditional name: 4-benzyl-1-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl}pyrrolidin-2-one
• Synonyms: 4-benzyl-1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.169065
• LogD (pH = 7.4): 1.173532
• Log P: 1.1735893
• Molar Refractivity: 104.1321 cm^3
• Polarizability: 35.944893 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.09
• LOG S: -2.57
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 5