N-(2,3-dihydro-1H-inden-2-yl)-3-{5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl}propanamide

• ChemBase ID: 394580
• Molecular Formular: C22H23N3O3
• Molecular Mass: 377.43632
• Monoisotopic Mass: 377.17394161
• SMILES: c1(nnc(o1)CCC(=O)NC1Cc2c(C1)cccc2)C(c1ccccc1)OC
• Canonical SMILES: COC(c1ccccc1)c1nnc(o1)CCC(=O)NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C22H23N3O3/c1-27-21(15-7-3-2-4-8-15)22-25-24-20(28-22)12-11-19(26)23-18-13-16-9-5-6-10-17(16)14-18/h2-10,18,21H,11-14H2,1H3,(H,23,26)
• InChIKey: NMYZCGAIBKBVSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.919854
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.317509
• LogD (pH = 7.4): 2.317509
• Log P: 2.317509
• Molar Refractivity: 106.6359 cm^3
• Polarizability: 40.516148 Å^3
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.2
• LOG S: -5.37
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 6