N-[2-(5-fluoro-1H-1,3-benzodiazol-2-yl)ethyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide

• ChemBase ID: 416953
• Molecular Formular: C14H15FN4O3
• Molecular Mass: 306.2923032
• Monoisotopic Mass: 306.11281858
• SMILES: C1(NC(=O)OC1)C(=O)N(CCc1nc2c([nH]1)ccc(c2)F)C
• Canonical SMILES: O=C1OCC(N1)C(=O)N(CCc1nc2c([nH]1)ccc(c2)F)C
• InChI: InChI=1S/C14H15FN4O3/c1-19(13(20)11-7-22-14(21)18-11)5-4-12-16-9-3-2-8(15)6-10(9)17-12/h2-3,6,11H,4-5,7H2,1H3,(H,16,17)(H,18,21)
• InChIKey: FHFPZRKIISCIKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-fluoro-1H-1,3-benzodiazol-2-yl)ethyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
• IUPAC Traditional name: N-[2-(5-fluoro-1H-1,3-benzodiazol-2-yl)ethyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
• Synonyms: N-[2-(5-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.44874
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.20506372
• LogD (pH = 7.4): 0.4311757
• Log P: 0.43511546
• Molar Refractivity: 74.2286 cm^3
• Polarizability: 29.654348 Å^3
• Polar Surface Area: 87.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.54
• LOG S: -1.9
• Polar Surface Area: 87.32 Å^2
• Rotatable Bonds: 4