N-cyclopentyl-2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

• ChemBase ID: 510185
• Molecular Formular: C17H21N5O2
• Molecular Mass: 327.38094
• Monoisotopic Mass: 327.16952494
• SMILES: n1c(onc1c1ncccc1)C1N(C(=O)NC2CCCC2)CCC1
• Canonical SMILES: O=C(N1CCCC1c1onc(n1)c1ccccn1)NC1CCCC1
• InChI: InChI=1S/C17H21N5O2/c23-17(19-12-6-1-2-7-12)22-11-5-9-14(22)16-20-15(21-24-16)13-8-3-4-10-18-13/h3-4,8,10,12,14H,1-2,5-7,9,11H2,(H,19,23)
• InChIKey: GRLAKIQIQGKWMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
• IUPAC Traditional name: N-cyclopentyl-2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
• Synonyms: N-cyclopentyl-2-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.6257515
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5049078
• LogD (pH = 7.4): 2.504908
• Log P: 2.504908
• Molar Refractivity: 98.9701 cm^3
• Polarizability: 34.15289 Å^3
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.87
• LOG S: -3.18
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 3