1-{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-methoxypiperidine

• ChemBase ID: 507893
• Molecular Formular: C19H26N2O3
• Molecular Mass: 330.42134
• Monoisotopic Mass: 330.1943427
• SMILES: c1(nc(c(o1)C)CN1CCC(CC1)OC)c1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1c1oc(c(n1)CN1CCC(CC1)OC)C
• InChI: InChI=1S/C19H26N2O3/c1-4-23-18-8-6-5-7-16(18)19-20-17(14(2)24-19)13-21-11-9-15(22-3)10-12-21/h5-8,15H,4,9-13H2,1-3H3
• InChIKey: GPSRNROYQCEZKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.07965006
• LogD (pH = 7.4): 1.8020668
• Log P: 2.3226602
• Molar Refractivity: 104.7265 cm^3
• Polarizability: 37.088394 Å^3
• Polar Surface Area: 47.73 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: 1.64
• LOG S: -2.45
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 3