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

• ChemBase ID: 852742
• Molecular Formular: C12H14N2O4
• Molecular Mass: 250.25056
• Monoisotopic Mass: 250.09535694
• SMILES: N1(C(=O)OC(C1=O)(C)C)Cc1c(nccc1)OC
• Canonical SMILES: COc1ncccc1CN1C(=O)OC(C1=O)(C)C
• InChI: InChI=1S/C12H14N2O4/c1-12(2)10(15)14(11(16)18-12)7-8-5-4-6-13-9(8)17-3/h4-6H,7H2,1-3H3
• InChIKey: KOLQFPKBFIFNDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.447081
• LogD (pH = 7.4): 1.447725
• Log P: 1.4477333
• Molar Refractivity: 62.4326 cm^3
• Polarizability: 24.324257 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: 1.25
• LOG S: -2.09
• Polar Surface Area: 68.73 Å^2
• Rotatable Bonds: 3