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

• ChemBase ID: 424325
• Molecular Formular: C24H27N3O2
• Molecular Mass: 389.49008
• Monoisotopic Mass: 389.21032712
• SMILES: n1nc(oc1CCC(=O)NC1Cc2c(C1)cccc2)CCCCc1ccccc1
• Canonical SMILES: O=C(NC1Cc2c(C1)cccc2)CCc1nnc(o1)CCCCc1ccccc1
• InChI: InChI=1S/C24H27N3O2/c28-22(25-21-16-19-11-5-6-12-20(19)17-21)14-15-24-27-26-23(29-24)13-7-4-10-18-8-2-1-3-9-18/h1-3,5-6,8-9,11-12,21H,4,7,10,13-17H2,(H,25,28)
• InChIKey: HPQRMZOVXNMAFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.016438
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.7232468
• LogD (pH = 7.4): 3.7232468
• Log P: 3.7232468
• Molar Refractivity: 114.3495 cm^3
• Polarizability: 43.36022 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.35
• LOG S: -6.71
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 9