3-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione

• ChemBase ID: 751244
• Molecular Formular: C14H18N2O4
• Molecular Mass: 278.30372
• Monoisotopic Mass: 278.12665707
• SMILES: N1(C(=O)OC(C1=O)(C)C)Cc1c(c(c(cn1)C)OC)C
• Canonical SMILES: COc1c(C)cnc(c1C)CN1C(=O)OC(C1=O)(C)C
• InChI: InChI=1S/C14H18N2O4/c1-8-6-15-10(9(2)11(8)19-5)7-16-12(17)14(3,4)20-13(16)18/h6H,7H2,1-5H3
• InChIKey: GDEXTCZOXBWBQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
• IUPAC Traditional name: 3-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
• Synonyms: 3-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0210018
• LogD (pH = 7.4): 1.9066123
• Log P: 1.9615904
• Molar Refractivity: 71.6793 cm^3
• Polarizability: 27.83119 Å^3
• Polar Surface Area: 68.73 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.84
• LOG S: -2.8
• Polar Surface Area: 68.73 Å^2
• Rotatable Bonds: 3