N'-cyclopentyl-N-methyl-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}butanediamide

• ChemBase ID: 572797
• Molecular Formular: C18H23N5O3
• Molecular Mass: 357.40692
• Monoisotopic Mass: 357.18008962
• SMILES: n1c(noc1CN(C(=O)CCC(=O)NC1CCCC1)C)c1ccncc1
• Canonical SMILES: CN(C(=O)CCC(=O)NC1CCCC1)Cc1onc(n1)c1ccncc1
• InChI: InChI=1S/C18H23N5O3/c1-23(17(25)7-6-15(24)20-14-4-2-3-5-14)12-16-21-18(22-26-16)13-8-10-19-11-9-13/h8-11,14H,2-7,12H2,1H3,(H,20,24)
• InChIKey: XYKRGPURALUOSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-cyclopentyl-N-methyl-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}butanediamide
• IUPAC Traditional name: N'-cyclopentyl-N-methyl-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}succinamide
• Synonyms: N'-cyclopentyl-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.283406
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.84127605
• LogD (pH = 7.4): 0.8418183
• Log P: 0.8418252
• Molar Refractivity: 106.0946 cm^3
• Polarizability: 36.8032 Å^3
• Polar Surface Area: 101.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.2
• LOG S: -3.28
• Polar Surface Area: 101.22 Å^2
• Rotatable Bonds: 7