N-methyl-N-[2-(4-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase ID: 549017
• Molecular Formular: C16H20N4O3
• Molecular Mass: 316.355
• Monoisotopic Mass: 316.15354052
• SMILES: n1c([nH]c2c1c(ccc2)C)CCN(C(=O)CN1C(=O)OCC1)C
• Canonical SMILES: O=C(N(CCc1nc2c([nH]1)cccc2C)C)CN1CCOC1=O
• InChI: InChI=1S/C16H20N4O3/c1-11-4-3-5-12-15(11)18-13(17-12)6-7-19(2)14(21)10-20-8-9-23-16(20)22/h3-5H,6-10H2,1-2H3,(H,17,18)
• InChIKey: CTTNJPBGRFCWRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(4-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• IUPAC Traditional name: N-methyl-N-[2-(4-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• Synonyms: N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.314869
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.43619946
• LogD (pH = 7.4): 0.8095014
• Log P: 0.8175547
• Molar Refractivity: 84.2048 cm^3
• Polarizability: 33.527702 Å^3
• Polar Surface Area: 78.53 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: 1.36
• LOG S: -2.96
• Polar Surface Area: 78.53 Å^2
• Rotatable Bonds: 5