N-{[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide

• ChemBase ID: 800398
• Molecular Formular: C12H12FIN2O3
• Molecular Mass: 378.1381532
• Monoisotopic Mass: 377.98766847
• SMILES: CC(=O)NC[C@@H]1OC(=O)N(C1)c1cc(c(cc1)I)F
• Canonical SMILES: CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)I
• InChI: InChI=1S/C12H12FIN2O3/c1-7(17)15-5-9-6-16(12(18)19-9)8-2-3-11(14)10(13)4-8/h2-4,9H,5-6H2,1H3,(H,15,17)/t9-/m0/s1
• InChIKey: YLWDRZMLYRIMNV-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide
• IUPAC Traditional name: N-{[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide
• Synonyms: (S)-N-((3-(3-fluoro-4-iodophenyl)-2-oxooxazolidin-5-yl)methyl)acetamide

CALCULATED PROPERTIES

• Acid pKa: 13.736294
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6760646
• LogD (pH = 7.4): 1.6760645
• Log P: 1.6760647
• Molar Refractivity: 74.3342 cm^3
• Polarizability: 28.916273 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%