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

• ChemBase ID: 542555
• Molecular Formular: C16H20N2O3
• Molecular Mass: 288.3416
• Monoisotopic Mass: 288.14739251
• SMILES: c1(nc(c(o1)C)CN1CCOCC1)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1nc(c(o1)C)CN1CCOCC1
• InChI: InChI=1S/C16H20N2O3/c1-12-14(11-18-7-9-20-10-8-18)17-16(21-12)13-5-3-4-6-15(13)19-2/h3-6H,7-11H2,1-2H3
• InChIKey: RRYUHIWAUYUSOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.341468
• LogD (pH = 7.4): 1.7765135
• Log P: 1.7861657
• Molar Refractivity: 90.5769 cm^3
• Polarizability: 31.563404 Å^3
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.34
• LOG S: -0.93
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 3