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

• ChemBase ID: 365845
• Molecular Formular: C23H33N3O2
• Molecular Mass: 383.52702
• Monoisotopic Mass: 383.25727731
• SMILES: n1nc(oc1CCC(=O)NCCCC1CCCC1)CCCCc1ccccc1
• Canonical SMILES: O=C(CCc1nnc(o1)CCCCc1ccccc1)NCCCC1CCCC1
• InChI: InChI=1S/C23H33N3O2/c27-21(24-18-8-14-20-11-4-5-12-20)16-17-23-26-25-22(28-23)15-7-6-13-19-9-2-1-3-10-19/h1-3,9-10,20H,4-8,11-18H2,(H,24,27)
• InChIKey: DVSUODFDRIBPDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -6.7
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 12
• H Acceptors: 4
• H Donor: 1
• Log P: 3.51

JChem

• Molar Refractivity: 112.4251 cm^3
• Polarizability: 42.97622 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true
• Acid pKa: 15.349324
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.0913553
• LogD (pH = 7.4): 4.0913553
• Log P: 4.0913553