5-(aminomethyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one

• ChemBase ID: 798733
• Molecular Formular: C10H11FN2O2
• Molecular Mass: 210.2049432
• Monoisotopic Mass: 210.08045582
• SMILES: O1C(=O)N(CC1CN)c1cc(ccc1)F
• Canonical SMILES: NCC1OC(=O)N(C1)c1cccc(c1)F
• InChI: InChI=1S/C10H11FN2O2/c11-7-2-1-3-8(4-7)13-6-9(5-12)15-10(13)14/h1-4,9H,5-6,12H2
• InChIKey: JUPGGIVRZWNEBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(aminomethyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 5-(aminomethyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one
• Synonyms: 5-(aminomethyl)-3-(3-fluorophenyl)-2-oxazolidinone

Database IDs

• CAS Number: 1082524-60-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9559554
• LogD (pH = 7.4): -0.59237486
• Log P: 0.9282736
• Molar Refractivity: 51.5279 cm^3
• Polarizability: 20.10582 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%