(S)-N-[[3-(3-Fluorophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide

HCID 11345751

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Basic information

CAS: 139071-79-7
Standard SMILES: CC(=O)NC[C@H]1CN(c2cccc(F)c2)C(=O)O1
InChIKey: RUKDAFXYNGLEBZ-NSHDSACASA-N
Molecular formula: C12H13FN2O3
Average molar mass: 252.24 g/mol
Monoisotopic mass: 252.09102044

Names & identifiers

Preferred name: (S)-N-[[3-(3-Fluorophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide
IUPAC: N-[[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
English name: (S)-N-[[3-(3-Fluorophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide
Molecular formula: C12H13FN2O3
Molecular weight: 252.24

Names & synonyms

139071-79-7(S)-N-[[3-(3-Fluorophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide(S)-N-[3-(3-Fluorophenyl)-2-oxo-oxazolidin-5-ylmethyl]acetamideMFCD09608092N-[[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamideAcetamide, N-[[(5S)-3-(3-fluorophenyl)-2-oxo-5-oxazolidinyl]methyl]-(S)-N-((3-(3-Fluorophenyl)-2-oxooxazolidin-5-yl)methyl)acetamideN-{[(5S)-3-(3-FLUOROPHENYL)-2-OXO-1,3-OXAZOLIDIN-5-YL]METHYL}ACETAMIDERUKDAFXYNGLEBZ-NSHDSACASA-NSCHEMBL5208261SCHEMBL5237275CHEMBL1824616

Show more names

DTXSID20463072N-[[(5S)-3-(3-fluorophenyl)-2-oxo-oxazolidin-5-yl]methyl]acetamideAKOS015917584AC-6408CS-W010203AS-37732DB-002338F050198

Database identifiers

CAS: 139071-79-7
PubChem CID: 11345751
DTXSID: DTXSID20463072
ChEMBL: CHEMBL1824616

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 337

Physicochemical properties

Boiling point: 450.4 · 450.4±28.0 °C(Predicted)
Density: 1.288 · 1.288±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 15.53 · 15.53±0.46(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313