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

• ChemBase ID: 359779
• Molecular Formular: C26H27N3O3
• Molecular Mass: 429.51088
• Monoisotopic Mass: 429.20524174
• SMILES: n1nc(oc1CCC(=O)NC(c1occc1)c1ccccc1)CCCCc1ccccc1
• Canonical SMILES: O=C(NC(c1ccco1)c1ccccc1)CCc1nnc(o1)CCCCc1ccccc1
• InChI: InChI=1S/C26H27N3O3/c30-23(27-26(22-15-9-19-31-22)21-13-5-2-6-14-21)17-18-25-29-28-24(32-25)16-8-7-12-20-10-3-1-4-11-20/h1-6,9-11,13-15,19,26H,7-8,12,16-18H2,(H,27,30)
• InChIKey: DNFYDTVEDFXOLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.850571
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.1794167
• LogD (pH = 7.4): 4.1794033
• Log P: 4.179417
• Molar Refractivity: 123.2884 cm^3
• Polarizability: 46.85993 Å^3
• Polar Surface Area: 81.16 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.92
• LOG S: -7.22
• Polar Surface Area: 81.16 Å^2
• Rotatable Bonds: 11