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

• ChemBase ID: 482864
• Molecular Formular: C21H24N2O3
• Molecular Mass: 352.42686
• Monoisotopic Mass: 352.17869264
• SMILES: c1(nc(c(o1)C)CN1CC(OCc2ccccc2)CCC1)c1cocc1
• Canonical SMILES: Cc1oc(nc1CN1CCCC(C1)OCc1ccccc1)c1cocc1
• InChI: InChI=1S/C21H24N2O3/c1-16-20(22-21(26-16)18-9-11-24-15-18)13-23-10-5-8-19(12-23)25-14-17-6-3-2-4-7-17/h2-4,6-7,9,11,15,19H,5,8,10,12-14H2,1H3
• InChIKey: UFNPJXPIGQGXND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4571433
• LogD (pH = 7.4): 3.0932727
• Log P: 3.445645
• Molar Refractivity: 110.4199 cm^3
• Polarizability: 39.190815 Å^3
• Polar Surface Area: 51.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.69
• LOG S: -3.53
• Polar Surface Area: 51.64 Å^2
• Rotatable Bonds: 6