chempirical

(4S)-3-(1-Oxopropyl)-4-phenyl-2-oxazolidinone

C12H13NO3CAS 184363-66-4219.24 g/mol

Open in Covalent MOL file
ONOO
AmideCarbamate

Properties

Molecular formula
C12H13NO3
Molar mass
219.24 g/mol
Exact mass
219.0895 Da
logP
2.12Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
184363-66-4
SMILES
CCC(=O)N1C(=O)OC[C@@H]1c1ccccc1
InChIKey
TYZVFKRBBHHHSX-SNVBAGLBSA-N
InChI
InChI=1S/C12H13NO3/c1-2-11(14)13-10(8-16-12(13)15)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/t10-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 2-Oxazolidinone, 3-(1-oxopropyl)-4-phenyl-, (4S)-
  • 2-Oxazolidinone, 3-(1-oxopropyl)-4-phenyl-, (S)-
  • (S)-4-Phenyl-3-propionyloxazolidin-2-one
  • (4S)-4-Phenyl-3-propionyloxazolidin-2-one
  • (4S)-4-Phenyl-3-propanoyl-1,3-oxazolidin-2-one

Work with (4S)-3-(1-Oxopropyl)-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

(4S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone101711-78-864 % similar (R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone131685-53-564 % similar (S)-1-(4-Fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione189028-93-156 % similar (4S)-3-[(5S)-5-(4-Fluorophenyl)-5-hydroxy-1-oxopentyl]-4-phenyl-2-oxazolidinone189028-95-353 % similar (S)-(+)-4-Isopropyl-3-propionyl-2-oxazolidinone77877-19-151 % similar (4R)-3-Propanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one89028-40-051 % similar 1-(4-Benzoyl-1-piperazinyl)-1-propanone314728-85-341 % similar 1-Phenylethyl propionate120-45-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Benzyl 3-oxopyrrolidine-1-carboxylate130312-02-6 Benzyl 3-oxocyclobutylcarbamate130369-36-7 (S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone132836-66-9 2-Butyl-5-nitrobenzofuran133238-87-6 1-(4-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid133747-57-6 5-Methoxy-2-methylindole-3-acetic acid2882-15-7 Benzyl 6-oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate31865-25-5 Ethyl 5-methoxy-1H-indole-2-carboxylate4792-58-9

Elsewhere

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