N-{[4-(3-fluorophenyl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]methyl}-2-oxo-1,3-oxazolidine-4-carboxamide

• ChemBase ID: 517696
• Molecular Formular: C19H16FN5O3
• Molecular Mass: 381.3604432
• Monoisotopic Mass: 381.12371762
• SMILES: c1(c(nc([nH]1)CNC(=O)C1NC(=O)OC1)c1cc(F)ccc1)c1ncccc1
• Canonical SMILES: O=C1OCC(N1)C(=O)NCc1[nH]c(c(n1)c1cccc(c1)F)c1ccccn1
• InChI: InChI=1S/C19H16FN5O3/c20-12-5-3-4-11(8-12)16-17(13-6-1-2-7-21-13)25-15(24-16)9-22-18(26)14-10-28-19(27)23-14/h1-8,14H,9-10H2,(H,22,26)(H,23,27)(H,24,25)
• InChIKey: KVRYPSBFHPFJDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(3-fluorophenyl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]methyl}-2-oxo-1,3-oxazolidine-4-carboxamide
• IUPAC Traditional name: N-{[4-(3-fluorophenyl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]methyl}-2-oxo-1,3-oxazolidine-4-carboxamide
• Synonyms: N-{[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl}-2-oxo-1,3-oxazolidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.825554
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.3110164
• LogD (pH = 7.4): 1.3376827
• Log P: 1.3381785
• Molar Refractivity: 95.9258 cm^3
• Polarizability: 39.391895 Å^3
• Polar Surface Area: 109.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 1.78
• LOG S: -3.5
• Polar Surface Area: 109.0 Å^2
• Rotatable Bonds: 5