(2R,6S)-4-{[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2,6-dimethylmorpholine

• ChemBase ID: 649862
• Molecular Formular: C20H28N2O4
• Molecular Mass: 360.44732
• Monoisotopic Mass: 360.20490739
• SMILES: c1(nc(c(o1)C)CN1C[C@@H](O[C@@H](C1)C)C)c1c(c(c(cc1)OC)C)OC
• Canonical SMILES: COc1c(ccc(c1C)OC)c1nc(c(o1)C)CN1C[C@H](C)O[C@@H](C1)C
• InChI: InChI=1S/C20H28N2O4/c1-12-9-22(10-13(2)25-12)11-17-15(4)26-20(21-17)16-7-8-18(23-5)14(3)19(16)24-6/h7-8,12-13H,9-11H2,1-6H3/t12-,13+
• InChIKey: PHJLHGFBCSJMRZ-BETUJISGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,6S)-4-{[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2,6-dimethylmorpholine
• IUPAC Traditional name: (2R,6S)-4-{[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2,6-dimethylmorpholine
• Synonyms: (2R*,6S*)-4-{[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2,6-dimethylmorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.0419655
• LogD (pH = 7.4): 2.9354315
• Log P: 2.975066
• Molar Refractivity: 110.9189 cm^3
• Polarizability: 39.530228 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: 3.0
• LOG S: -3.38
• Polar Surface Area: 56.96 Å^2
• Rotatable Bonds: 5