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

• ChemBase ID: 448424
• Molecular Formular: C20H23N3O3
• Molecular Mass: 353.41492
• Monoisotopic Mass: 353.17394161
• SMILES: n1nc(oc1CCC(=O)NCCc1occc1)CCCc1ccccc1
• Canonical SMILES: O=C(CCc1nnc(o1)CCCc1ccccc1)NCCc1ccco1
• InChI: InChI=1S/C20H23N3O3/c24-18(21-14-13-17-9-5-15-25-17)11-12-20-23-22-19(26-20)10-4-8-16-6-2-1-3-7-16/h1-3,5-7,9,15H,4,8,10-14H2,(H,21,24)
• InChIKey: JOBYMMAAMJKWKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.65432
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0105677
• LogD (pH = 7.4): 2.010568
• Log P: 2.010568
• Molar Refractivity: 99.27 cm^3
• Polarizability: 37.28696 Å^3
• Polar Surface Area: 81.16 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.11
• LOG S: -5.03
• Polar Surface Area: 81.16 Å^2
• Rotatable Bonds: 10