N-[(2,5-dimethylphenyl)(pyridin-3-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase ID: 495783
• Molecular Formular: C19H21N3O3
• Molecular Mass: 339.38834
• Monoisotopic Mass: 339.15829155
• SMILES: C1(=O)N(CC(=O)NC(c2c(ccc(c2)C)C)c2cnccc2)CCO1
• Canonical SMILES: O=C(NC(c1cc(C)ccc1C)c1cccnc1)CN1CCOC1=O
• InChI: InChI=1S/C19H21N3O3/c1-13-5-6-14(2)16(10-13)18(15-4-3-7-20-11-15)21-17(23)12-22-8-9-25-19(22)24/h3-7,10-11,18H,8-9,12H2,1-2H3,(H,21,23)
• InChIKey: JFWNBQBCCIPLSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,5-dimethylphenyl)(pyridin-3-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• IUPAC Traditional name: N-[(2,5-dimethylphenyl)(pyridin-3-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• Synonyms: N-[(2,5-dimethylphenyl)(pyridin-3-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.728706
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0133216
• LogD (pH = 7.4): 2.0765438
• Log P: 2.0774305
• Molar Refractivity: 93.5383 cm^3
• Polarizability: 35.982628 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.81
• LOG S: -1.92
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 5