(5R)-5-(azidomethyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one

• ChemBase ID: 798747
• Molecular Formular: C10H9FN4O2
• Molecular Mass: 236.2024632
• Monoisotopic Mass: 236.07095377
• SMILES: O1C(=O)N(C[C@@H]1CN=[N+]=[N-])c1cc(ccc1)F
• Canonical SMILES: [N-]=[N+]=NC[C@@H]1OC(=O)N(C1)c1cccc(c1)F
• InChI: InChI=1S/C10H9FN4O2/c11-7-2-1-3-8(4-7)15-6-9(5-13-14-12)17-10(15)16/h1-4,9H,5-6H2/t9-/m0/s1
• InChIKey: ZHNQSWZJBIOOHW-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5R)-5-(azidomethyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: (5R)-5-(azidomethyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one
• Synonyms: (5r)-5-(azidomethyl)-3-(3-fluorophenyl)-2-oxazolidinone; 2-Oxazolidinone, 5-(azidomethyl)-3-(3-fluorophenyl)-, (5R)-

Database IDs

• CAS Number: 149524-44-7

CALCULATED PROPERTIES

• Acid pKa: 19.802187
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7414542
• LogD (pH = 7.4): 1.7414542
• Log P: 1.8554999
• Molar Refractivity: 56.1629 cm^3
• Polarizability: 20.951797 Å^3
• Polar Surface Area: 58.97 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%