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

• ChemBase ID: 386317
• Molecular Formular: C19H26N2O3
• Molecular Mass: 330.42134
• Monoisotopic Mass: 330.1943427
• SMILES: n1c(c(oc1c1ccc(cc1)OCC)C)CN1CC(OC)CCC1
• Canonical SMILES: CCOc1ccc(cc1)c1nc(c(o1)C)CN1CCCC(C1)OC
• InChI: InChI=1S/C19H26N2O3/c1-4-23-16-9-7-15(8-10-16)19-20-18(14(2)24-19)13-21-11-5-6-17(12-21)22-3/h7-10,17H,4-6,11-13H2,1-3H3
• InChIKey: SLYBFZZBDDYQPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6310485
• LogD (pH = 7.4): 2.3264532
• Log P: 2.7800632
• Molar Refractivity: 104.5057 cm^3
• Polarizability: 37.081394 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: 3.08
• LOG S: -2.86
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 3