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

C10H11NO2CAS 16251-45-9177.20 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
S, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
16251-45-9
SMILES
C[C@H]1[C@H](OC(=O)N1)C2=CC=CC=C2
InChIKey
PPIBJOQGAJBQDF-CBAPKCEASA-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-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • 4-Methyl-5-phenyl-2-oxazolidinone, (4S,5R)-

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

(4R,5S)-(+)-4-Methyl-5-phenyl-2-oxazolidinone77943-39-6Enantiomer

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 7-Methoxy-3,4-dihydro-2H-isoquinolin-1-one22246-04-4

Elsewhere

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