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

• ChemBase ID: 692316
• Molecular Formular: C17H22N2O4
• Molecular Mass: 318.36758
• Monoisotopic Mass: 318.15795719
• SMILES: c1(nc(c(o1)C)CN1CCOCC1)c1c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(cc1c1nc(c(o1)C)CN1CCOCC1)OC
• InChI: InChI=1S/C17H22N2O4/c1-12-15(11-19-6-8-22-9-7-19)18-17(23-12)14-10-13(20-2)4-5-16(14)21-3/h4-5,10H,6-9,11H2,1-3H3
• InChIKey: DAJYSQNKWDZRGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.197171
• LogD (pH = 7.4): 1.6192944
• Log P: 1.6284945
• Molar Refractivity: 97.0401 cm^3
• Polarizability: 34.089085 Å^3
• Polar Surface Area: 56.96 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.41
• LOG S: -0.7
• Polar Surface Area: 56.96 Å^2
• Rotatable Bonds: 3