N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(1H-pyrazol-1-yl)butanamide

• ChemBase ID: 490154
• Molecular Formular: C16H23N5O2
• Molecular Mass: 317.38612
• Monoisotopic Mass: 317.185175
• SMILES: n1c(onc1CCNC(=O)C(n1nccc1)CC)C1CCCC1
• Canonical SMILES: CCC(n1cccn1)C(=O)NCCc1noc(n1)C1CCCC1
• InChI: InChI=1S/C16H23N5O2/c1-2-13(21-11-5-9-18-21)15(22)17-10-8-14-19-16(23-20-14)12-6-3-4-7-12/h5,9,11-13H,2-4,6-8,10H2,1H3,(H,17,22)
• InChIKey: WFPAJLIYVLESED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(1H-pyrazol-1-yl)butanamide
• IUPAC Traditional name: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(pyrazol-1-yl)butanamide
• Synonyms: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(1H-pyrazol-1-yl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.650448
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2724998
• LogD (pH = 7.4): 2.272603
• Log P: 2.2726045
• Molar Refractivity: 97.2635 cm^3
• Polarizability: 32.54246 Å^3
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.28
• LOG S: -2.61
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 7