chempirical

(R)-4-Benzyl-2-oxazolidinone

C10H11NO2CAS 102029-44-7177.20 g/mol

Open in Covalent MOL file
ONHO

Properties

Molecular formula
C10H11NO2
Molar mass
177.20 g/mol
Exact mass
177.0790 Da
Melting point
86 °C
Boiling point
150–160 °C (at 0.5 Torr)
logP
1.54Crippen estimate
Polar surface area
41.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
102029-44-7
SMILES
OC1=N[C@H](Cc2ccccc2)CO1
InChIKey
OJOFMLDBXPDXLQ-SECBINFHSA-N
InChI
InChI=1S/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m1/s1

Weigh it out

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

Names and synonyms

15 names · show all
  • 2-Oxazolidinone, 4-(phenylmethyl)-, (4R)-
  • 2-Oxazolidinone, 4-(phenylmethyl)-, (R)-
  • (4R)-4-(Phenylmethyl)-2-oxazolidinone
  • (R)-4-(Phenylmethyl)-2-oxazolidinone
  • (R)-(+)-4-Benzyl-2-oxazolidinone
  • (4R)-4-Benzyl-2-oxazolidinone
  • (+)-4-Benzyl-2-oxazolidinone
  • (R)-4-Benzyl-1,3-oxazolidin-2-one
  • 4(R)-Benzyloxazolidin-2-one
  • (R)-4-Benzyl-2-oxooxazolidine
  • (R)-(+)-4-Benzyl-2-oxazolidone
  • (4R)-4-Benzyl-1,3-oxazolidin-2-one
  • (R)-4-Benzyloxazolidin-2-one
  • (4R)-4-(Phenylmethyl)-1,3-oxazolidin-2-one
  • (4R)-4-Benzyloxazolidin-2-one

Work with (R)-4-Benzyl-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.

(S)-4-Benzyl-2-oxazolidinone90719-32-7Enantiomer

Similar compounds

(S)-4-(4-Aminobenzyl)oxazolidin-2-one152305-23-269 % similar (βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid209252-16-457 % similar (-)-4-Phenyl-2-oxazolidinone90319-52-156 % similar (S)-(+)-4-Phenyl-2-oxazolidinone99395-88-756 % similar Benzyloxycarbonyl-L-phenylalanine1161-13-351 % similar N-(Benzyloxycarbonyl)-D-phenylalanine2448-45-551 % similar N-(Benzyloxycarbonyl)-dl-phenylalanine3588-57-651 % similar Fmoc-L-phenylalanine35661-40-650 % similar

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

Same formula

Acetoacetanilide102-01-2 (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 (4S,5R)-(-)-4-Methyl-5-phenyl-2-oxazolidinone16251-45-9 2,5-Dimethoxyphenylacetonitrile18086-24-3 7-Methoxy-3,4-dihydro-2H-isoquinolin-1-one22246-04-4

Elsewhere

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