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

• ChemBase ID: 550339
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: n1c(noc1C1CCCC1)CN1C(=O)CC(C1)Cc1ccccc1
• Canonical SMILES: O=C1CC(CN1Cc1noc(n1)C1CCCC1)Cc1ccccc1
• InChI: InChI=1S/C19H23N3O2/c23-18-11-15(10-14-6-2-1-3-7-14)12-22(18)13-17-20-19(24-21-17)16-8-4-5-9-16/h1-3,6-7,15-16H,4-5,8-13H2
• InChIKey: DJXYZCUDPXPKLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4120932
• LogD (pH = 7.4): 3.4120932
• Log P: 3.4120932
• Molar Refractivity: 92.1035 cm^3
• Polarizability: 34.962425 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.86
• LOG S: -4.01
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 5