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

• ChemBase ID: 348686
• Molecular Formular: C23H28N4O2
• Molecular Mass: 392.49402
• Monoisotopic Mass: 392.22122616
• SMILES: n1nc(oc1CCC(=O)NCCCc1cnccc1)CCCCc1ccccc1
• Canonical SMILES: O=C(CCc1nnc(o1)CCCCc1ccccc1)NCCCc1cccnc1
• InChI: InChI=1S/C23H28N4O2/c28-21(25-17-7-12-20-11-6-16-24-18-20)14-15-23-27-26-22(29-23)13-5-4-10-19-8-2-1-3-9-19/h1-3,6,8-9,11,16,18H,4-5,7,10,12-15,17H2,(H,25,28)
• InChIKey: HIDFYFVFAKVNPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.966404
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7580318
• LogD (pH = 7.4): 2.8491564
• Log P: 2.8504875
• Molar Refractivity: 113.8138 cm^3
• Polarizability: 43.191868 Å^3
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.34
• LOG S: -6.0
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 12