N-(3-cyclopentylpropyl)-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 497661
• Molecular Formular: C22H31N3O2
• Molecular Mass: 369.50044
• Monoisotopic Mass: 369.24162725
• SMILES: n1nc(oc1CCC(=O)NCCCC1CCCC1)CCCc1ccccc1
• Canonical SMILES: O=C(CCc1nnc(o1)CCCc1ccccc1)NCCCC1CCCC1
• InChI: InChI=1S/C22H31N3O2/c26-20(23-17-7-13-19-10-4-5-11-19)15-16-22-25-24-21(27-22)14-6-12-18-8-2-1-3-9-18/h1-3,8-9,19H,4-7,10-17H2,(H,23,26)
• InChIKey: PGPRAURCIKTBGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-cyclopentylpropyl)-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-(3-cyclopentylpropyl)-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-(3-cyclopentylpropyl)-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.378063
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.6467865
• LogD (pH = 7.4): 3.6467865
• Log P: 3.6467865
• Molar Refractivity: 107.8241 cm^3
• Polarizability: 41.134747 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.98
• LOG S: -6.27
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 11