N-cyclopentyl-4-oxo-4-{2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}butanamide

• ChemBase ID: 639091
• Molecular Formular: C20H25N5O3
• Molecular Mass: 383.4442
• Monoisotopic Mass: 383.19573969
• SMILES: n1c(onc1c1cnccc1)C1N(C(=O)CCC(=O)NC2CCCC2)CCC1
• Canonical SMILES: O=C(NC1CCCC1)CCC(=O)N1CCCC1c1onc(n1)c1cccnc1
• InChI: InChI=1S/C20H25N5O3/c26-17(22-15-6-1-2-7-15)9-10-18(27)25-12-4-8-16(25)20-23-19(24-28-20)14-5-3-11-21-13-14/h3,5,11,13,15-16H,1-2,4,6-10,12H2,(H,22,26)
• InChIKey: JISYPUCJQRTEIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-4-oxo-4-{2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}butanamide
• IUPAC Traditional name: N-cyclopentyl-4-oxo-4-{2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}butanamide
• Synonyms: N-cyclopentyl-4-oxo-4-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.305477
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.3858366
• LogD (pH = 7.4): 1.3915371
• Log P: 1.3916104
• Molar Refractivity: 113.3809 cm^3
• Polarizability: 39.75471 Å^3
• Polar Surface Area: 101.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.37
• LOG S: -2.31
• Polar Surface Area: 101.22 Å^2
• Rotatable Bonds: 6