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

C12H13NO3CAS 184363-66-4219.24 g/mol

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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.

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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

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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

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