chempirical

(S)-(+)-4-Phenyl-2-oxazolidinone

C9H9NO2CAS 86217-38-1163.18 g/mol

Open in Covalent MOL file
NHOO
Carbamate

Properties

Molecular formula
C9H9NO2
Molar mass
163.18 g/mol
Exact mass
163.0633 Da
logP
1.47Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1
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
86217-38-1
SMILES
C1[C@@H](NC(=O)O1)C2=CC=CC=C2
InChIKey
QDMNNMIOWVJVLY-MRVPVSSYSA-N
InChI
InChI=1S/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)/t8-/m1/s1

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Names and synonyms

1 names
  • 2-Oxazolidinone, 4-phenyl-, (4S)-

Work with (S)-(+)-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(-)-4-Phenyl-2-oxazolidinone90319-52-1Enantiomer (S)-(+)-4-Phenyl-2-oxazolidinone99395-88-7

Similar compounds

(S)-4-Phenyl-1,3-oxazolidine-2-thione190970-57-161 % similar Boc-L-phenylglycinol117049-14-655 % similar Fmoc-(S)-3-amino-3-phenylpropionic acid209252-15-355 % similar Fmoc-(R)-3-amino-3-phenylpropionic acid220498-02-255 % similar (S)-tert-Butyl 3-oxo-1-phenylpropylcarbamate135865-78-052 % similar (S)-N-Boc-3-amino-3-phenylpropanoic acid103365-47-551 % similar (R)-N-Boc-3-amino-3-phenylpropanoic acid161024-80-251 % similar (R)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate118399-28-350 % similar

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

Same formula

2,6-Diacetylpyridine1129-30-2 1-Phenyl-1,2-propanedione 2-oxime119-51-7 4-Acetamidobenzaldehyde122-85-0 (3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone132127-34-5 2-Hydroxy-7,8-dihydro-5(6H)-quinolinone15450-69-8 (±)-Indoline-2-carboxylic acid16851-56-2 2,6-Dimethoxybenzonitrile16932-49-3 2,5-Dimethyl-β-oxo-3-furanpropanenitrile175276-62-7

Elsewhere

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