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

• ChemBase ID: 703146
• Molecular Formular: C16H19FN2O3
• Molecular Mass: 306.3320632
• Monoisotopic Mass: 306.1379707
• SMILES: c1(nc(c(o1)C)CN1CCOCC1)c1c(cc(cc1)OC)F
• Canonical SMILES: COc1ccc(c(c1)F)c1nc(c(o1)C)CN1CCOCC1
• InChI: InChI=1S/C16H19FN2O3/c1-11-15(10-19-5-7-21-8-6-19)18-16(22-11)13-4-3-12(20-2)9-14(13)17/h3-4,9H,5-8,10H2,1-2H3
• InChIKey: RLLVFRRUSBWCBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5156357
• LogD (pH = 7.4): 1.9202583
• Log P: 1.9288677
• Molar Refractivity: 90.7933 cm^3
• Polarizability: 31.250765 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: 1.62
• LOG S: -1.81
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 4