(S)-1-(2-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione
Basic information
- CAS
2514695-40-8- Standard SMILES
O=C(CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccccc1F- InChIKey
NEEQKEIQDMEKNX-QGZVFWFLSA-N- Molecular formula
- C20H18FNO4
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.12198622
Names & identifiers
- Preferred name
- (S)-1-(2-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione
- IUPAC
- 1-(2-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione
- English name
- 1,5-Pentanedione, 1-(2-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-3-oxazolidinyl]-
- Molecular formula
- C20H18FNO4
- Molecular weight
- 355.36
Names & synonyms
2514695-40-8Oxazolidinone Impurity 1(S)-1-(2-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dioneEzetimibe Impurity 56SJJ9MEU8X2CS-0164733H364941,5-Pentanedione, 1-(2-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-3-oxazolidinyl]-1-(2-Fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-3-oxazolidinyl]-1,5-pentanedione(S)-1-(2-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione? (Ezetimibe Impurity pound(c)
Database identifiers
- CAS
2514695-40-8- PubChem CID
- 129011941
- UNII
- SJJ9MEU8X2
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 532
Physicochemical properties
- Boiling point
- 559.9 · 559.9±50.0 °C(Predicted)
- Density
- 1.288 · 1.288±0.06 g/cm3(Predicted)
- pka
- -3.11 · -3.11±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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