N-cyclopentyl-2-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}amino)propanamide

• ChemBase ID: 525838
• Molecular Formular: C17H21FN4O2
• Molecular Mass: 332.3726432
• Monoisotopic Mass: 332.16485415
• SMILES: n1c(noc1CNC(C(=O)NC1CCCC1)C)c1ccc(cc1)F
• Canonical SMILES: CC(C(=O)NC1CCCC1)NCc1onc(n1)c1ccc(cc1)F
• InChI: InChI=1S/C17H21FN4O2/c1-11(17(23)20-14-4-2-3-5-14)19-10-15-21-16(22-24-15)12-6-8-13(18)9-7-12/h6-9,11,14,19H,2-5,10H2,1H3,(H,20,23)
• InChIKey: WWCGDAUIKAMZLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}amino)propanamide
• IUPAC Traditional name: N-cyclopentyl-2-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}amino)propanamide
• Synonyms: N-cyclopentyl-2-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}amino)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.837719
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.0283363
• LogD (pH = 7.4): 2.7318828
• Log P: 2.7549694
• Molar Refractivity: 98.5872 cm^3
• Polarizability: 33.980717 Å^3
• Polar Surface Area: 80.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.0
• LOG S: -3.33
• Polar Surface Area: 80.05 Å^2
• Rotatable Bonds: 6