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

• ChemBase ID: 314458
• Molecular Formular: C16H20N2O2
• Molecular Mass: 272.3422
• Monoisotopic Mass: 272.15247789
• SMILES: n1c(c(oc1c1cc(ccc1)C)C)CN1CCOCC1
• Canonical SMILES: Cc1cccc(c1)c1nc(c(o1)C)CN1CCOCC1
• InChI: InChI=1S/C16H20N2O2/c1-12-4-3-5-14(10-12)16-17-15(13(2)20-16)11-18-6-8-19-9-7-18/h3-5,10H,6-9,11H2,1-2H3
• InChIKey: YSPUDJBOBJDHIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9531065
• LogD (pH = 7.4): 2.4454246
• Log P: 2.4572585
• Molar Refractivity: 89.1549 cm^3
• Polarizability: 30.80782 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.38
• LOG S: -1.72
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 3