chempirical

(4R,5S)-(+)-4-Methyl-5-phenyl-2-oxazolidinone

C10H11NO2CAS 77943-39-6177.20 g/mol

Open in Covalent MOL file
OOHN
Carbamate

Properties

Molecular formula
C10H11NO2
Molar mass
177.20 g/mol
Exact mass
177.0790 Da
logP
1.86Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1
Stereocentres
R, 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
77943-39-6
SMILES
C[C@@H]1[C@@H](OC(=O)N1)C2=CC=CC=C2
InChIKey
PPIBJOQGAJBQDF-VXNVDRBHSA-N
InChI
InChI=1S/C10H11NO2/c1-7-9(13-10(12)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9-/m1/s1

Weigh it out

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

Work with (4R,5S)-(+)-4-Methyl-5-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.

(4S,5R)-(-)-4-Methyl-5-phenyl-2-oxazolidinone16251-45-9Enantiomer

Similar compounds

(S)-(+)-4-Phenyl-2-oxazolidinone86217-38-145 % similar (S)-(-)-4-Isopropyl-5,5-diphenyl-2-oxazolidinone184346-45-042 % similar 1-Phenylethyl acetate93-92-541 % similar (5S,6R)-5,6-Diphenyl-2-morpholinone144538-22-740 % similar (5R,6S)-5,6-Diphenyl-2-morpholinone282735-66-440 % similar Phenylmethanediol diacetate581-55-539 % similar Isopropyl benzoate939-48-039 % similar Boc-D-phenylglycine33125-05-239 % similar

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

Same formula

Acetoacetanilide102-01-2 (R)-4-Benzyl-2-oxazolidinone102029-44-7 (3R)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid103733-65-9 3,5-Dimethoxyphenylacetonitrile13388-75-5 1,3-Dihydro-4-(2-hydroxyethyl)-2H-indol-2-one139122-19-3 5,6-Dimethoxyindole14430-23-0 2,5-Dimethoxyphenylacetonitrile18086-24-3

Elsewhere

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