3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine

• ChemBase ID: 675416
• Molecular Formular: C20H24N4O3
• Molecular Mass: 368.42956
• Monoisotopic Mass: 368.18484065
• SMILES: n1c(onc1CCOC)C1CN(Cc2nc(oc2)c2ccccc2)CCC1
• Canonical SMILES: COCCc1noc(n1)C1CCCN(C1)Cc1coc(n1)c1ccccc1
• InChI: InChI=1S/C20H24N4O3/c1-25-11-9-18-22-20(27-23-18)16-8-5-10-24(12-16)13-17-14-26-19(21-17)15-6-3-2-4-7-15/h2-4,6-7,14,16H,5,8-13H2,1H3
• InChIKey: WXMIYDVYPMAMLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine
• IUPAC Traditional name: 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine
• Synonyms: 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.95888346
• LogD (pH = 7.4): 2.6112676
• Log P: 2.9814103
• Molar Refractivity: 112.3657 cm^3
• Polarizability: 39.197906 Å^3
• Polar Surface Area: 77.42 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.05
• LOG S: -2.63
• Polar Surface Area: 77.42 Å^2
• Rotatable Bonds: 7