(4S)-3-[(5S)-5-(4-Fluorophenyl)-5-hydroxy-1-oxopentyl]-4-phenyl-2-oxazolidinone

C20H20FNO4CAS 189028-95-3357.38 g/mol

Open in Covalent MOL file
OHOFNOO
AlcoholAmideAryl halideCarbamate

Properties

Molecular formula
C20H20FNO4
Molar mass
357.38 g/mol
Exact mass
357.1376 Da
logP
3.75Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
6
Stereocentres
S, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 17 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
189028-95-3
SMILES
O=C(CCC[C@H](O)c1ccc(F)cc1)N1C(=O)OC[C@@H]1c1ccccc1
InChIKey
AVAZNWOHQJYCEL-MSOLQXFVSA-N
InChI
InChI=1S/C20H20FNO4/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/h1-3,5-6,9-12,17-18,23H,4,7-8,13H2/t17-,18+/m1/s1

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Names and synonyms

5 names
  • 2-Oxazolidinone, 3-[(5S)-5-(4-fluorophenyl)-5-hydroxy-1-oxopentyl]-4-phenyl-, (4S)-
  • 2-Oxazolidinone, 3-[5-(4-fluorophenyl)-5-hydroxy-1-oxopentyl]-4-phenyl-, [S-(R*,R*)]-
  • (4S)-4-Phenyl-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one
  • 3-[(5S)-(4-Fluorophenyl)-5-hydroxypentanoyl]-(4S)-phenyl-1,3-oxazolidin-2-one
  • (4S)-3-[(5S)-5-(4-Fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one

Work with (4S)-3-[(5S)-5-(4-Fluorophenyl)-5-hydroxy-1-oxopentyl]-4-phenyl-2-oxazolidinone

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

(S)-1-(4-Fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione189028-93-170 % similar (4S)-3-(1-Oxopropyl)-4-phenyl-2-oxazolidinone184363-66-453 % similar 1-Phenyl-1-pentanol583-03-940 % similar (3R,4S)-4-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)azetidin-2-one163222-32-038 % similar 1-(Phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate32159-21-037 % similar Z-D-Pyr-oh78339-57-837 % similar (4S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone101711-78-837 % similar (R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone131685-53-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyhalofop-butyl122008-85-9

Elsewhere

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