3-(benzyloxy)-1-{[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine

• ChemBase ID: 758325
• Molecular Formular: C24H29N3O5
• Molecular Mass: 439.50416
• Monoisotopic Mass: 439.21072104
• SMILES: c1(nc(on1)CN1CC(OCc2ccccc2)CCC1)c1c(c(c(cc1)OC)OC)OC
• Canonical SMILES: COc1c(ccc(c1OC)OC)c1noc(n1)CN1CCCC(C1)OCc1ccccc1
• InChI: InChI=1S/C24H29N3O5/c1-28-20-12-11-19(22(29-2)23(20)30-3)24-25-21(32-26-24)15-27-13-7-10-18(14-27)31-16-17-8-5-4-6-9-17/h4-6,8-9,11-12,18H,7,10,13-16H2,1-3H3
• InChIKey: SUEXXGHDMVIIJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)-1-{[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
• IUPAC Traditional name: 3-(benzyloxy)-1-{[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
• Synonyms: 3-(benzyloxy)-1-{[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 2.1101308
• LogD (pH = 7.4): 3.530494
• Log P: 3.7016494
• Molar Refractivity: 132.2118 cm^3
• Polarizability: 47.25027 Å^3
• Polar Surface Area: 79.08 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: 2.83
• LOG S: -3.44
• Polar Surface Area: 79.08 Å^2
• Rotatable Bonds: 6