3-methyl-N-{3-[2-(2-oxo-1,3-oxazolidin-3-yl)acetamido]phenyl}benzamide

• ChemBase ID: 358720
• Molecular Formular: C19H19N3O4
• Molecular Mass: 353.37186
• Monoisotopic Mass: 353.1375561
• SMILES: C1(=O)N(CC(=O)Nc2cc(NC(=O)c3cc(ccc3)C)ccc2)CCO1
• Canonical SMILES: O=C(CN1CCOC1=O)Nc1cccc(c1)NC(=O)c1cccc(c1)C
• InChI: InChI=1S/C19H19N3O4/c1-13-4-2-5-14(10-13)18(24)21-16-7-3-6-15(11-16)20-17(23)12-22-8-9-26-19(22)25/h2-7,10-11H,8-9,12H2,1H3,(H,20,23)(H,21,24)
• InChIKey: FZBGVCVHJOZWLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-N-{3-[2-(2-oxo-1,3-oxazolidin-3-yl)acetamido]phenyl}benzamide
• IUPAC Traditional name: 3-methyl-N-{3-[2-(2-oxo-1,3-oxazolidin-3-yl)acetamido]phenyl}benzamide
• Synonyms: 3-methyl-N-(3-{[(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino}phenyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.133538
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.3824215
• LogD (pH = 7.4): 2.3824205
• Log P: 2.3824215
• Molar Refractivity: 98.8505 cm^3
• Polarizability: 36.305195 Å^3
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.01
• LOG S: -3.49
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 5