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

• ChemBase ID: 522458
• Molecular Formular: C23H25N3O3
• Molecular Mass: 391.4629
• Monoisotopic Mass: 391.18959168
• SMILES: n1nc(oc1CCc1c(OC)cccc1)CCC(=O)NC1Cc2c(C1)cccc2
• Canonical SMILES: COc1ccccc1CCc1nnc(o1)CCC(=O)NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C23H25N3O3/c1-28-20-9-5-4-6-16(20)10-12-22-25-26-23(29-22)13-11-21(27)24-19-14-17-7-2-3-8-18(17)15-19/h2-9,19H,10-15H2,1H3,(H,24,27)
• InChIKey: YBDHLFCNZIUUPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.893231
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6764383
• LogD (pH = 7.4): 2.6764383
• Log P: 2.6764383
• Molar Refractivity: 111.6107 cm^3
• Polarizability: 42.19709 Å^3
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.21
• LOG S: -5.87
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 7