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

• ChemBase ID: 366244
• Molecular Formular: C23H25ClN2O2
• Molecular Mass: 396.9098
• Monoisotopic Mass: 396.16045573
• SMILES: n1c(c(oc1c1cc(Cl)ccc1)C)CN1CCC(CC1)OCc1ccccc1
• Canonical SMILES: Clc1cccc(c1)c1nc(c(o1)C)CN1CCC(CC1)OCc1ccccc1
• InChI: InChI=1S/C23H25ClN2O2/c1-17-22(25-23(28-17)19-8-5-9-20(24)14-19)15-26-12-10-21(11-13-26)27-16-18-6-3-2-4-7-18/h2-9,14,21H,10-13,15-16H2,1H3
• InChIKey: XZXXJNUDZGSWQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.222509
• LogD (pH = 7.4): 3.9413993
• Log P: 4.452041
• Molar Refractivity: 122.9321 cm^3
• Polarizability: 44.182808 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.49
• LOG S: -5.17
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 6