(S)-1-(4-Fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione

C20H18FNO4CAS 189028-93-1355.37 g/mol

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AmideAryl halideCarbamateKetone

Properties

Molecular formula
C20H18FNO4
Molar mass
355.37 g/mol
Exact mass
355.1220 Da
logP
3.90Crippen estimate
Polar surface area
63.7 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
189028-93-1
SMILES
O=C(CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc(F)cc1
InChIKey
XXSSRSVXDNUAQX-QGZVFWFLSA-N
InChI
InChI=1S/C20H18FNO4/c21-16-11-9-15(10-12-16)18(23)7-4-8-19(24)22-17(13-26-20(22)25)14-5-2-1-3-6-14/h1-3,5-6,9-12,17H,4,7-8,13H2/t17-/m1/s1

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Names and synonyms

8 names
  • 1,5-Pentanedione, 1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-3-oxazolidinyl]-
  • 2-Oxazolidinone, 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-, (S)-
  • 2-Oxazolidinone, 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-, (4S)-
  • 1-(4-Fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-3-oxazolidinyl]-1,5-pentanedione
  • (4S)-4-Phenyl-3-[5-(4-fluorophenyl)-5-oxopentanoyl]-1,3-oxazolidin-2-one
  • (S)-3-[5-(4-Fluorophenyl)-1,5-dioxopentyl]-4-phenyloxazolidin-2-one
  • (S)-3-[4-(4-Fluorobenzoyl)-1-oxobutyl]-4-phenyloxazolidin-2-one
  • 1-(4-Fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione

Work with (S)-1-(4-Fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(4S)-3-[(5S)-5-(4-Fluorophenyl)-5-hydroxy-1-oxopentyl]-4-phenyl-2-oxazolidinone189028-95-370 % similar (4S)-3-(1-Oxopropyl)-4-phenyl-2-oxazolidinone184363-66-456 % similar 4-Fluoro-δ-oxobenzenepentanoic acid149437-76-343 % similar 4-Chloro-1-(4-fluorophenyl)-1-butanone3874-54-242 % similar 1-(4-Fluorophenyl)-1-butanone582-83-241 % similar 1-(4-Fluorophenyl)-2-phenylethan-1-one347-84-240 % similar Fluanisone1480-19-939 % similar Azaperone1649-18-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2S,4R)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-fluoropyrrolidine-2-carboxylic acid203866-20-0

Elsewhere

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