(4S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone

C₁₃H₁₅NO₃CAS 101711-78-8233.27 g/mol

Open in Covalent MOL file

Amide Carbamate

Properties

Molecular formula: C₁₃H₁₅NO₃
Molar mass: 233.27 g/mol
Exact mass: 233.1052 Da
logP: 1.99Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 29 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

101711-78-8

SMILES

CCC(=O)N1[C@H](COC1=O)CC2=CC=CC=C2

InChIKey

WHOBYFHKONUTMW-NSHDSACASA-N

InChI

InChI=1S/C13H15NO3/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m0/s1

Weigh it out

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

Names and synonyms

1 names

(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one

Work with (4S)-(+)-4-Benzyl-3-propionyl-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.

(R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone131685-53-5Enantiomer

Similar compounds

(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone132836-66-967 % similar (4S)-3-(1-Oxopropyl)-4-phenyl-2-oxazolidinone184363-66-464 % similar (S)-(+)-4-Isopropyl-3-propionyl-2-oxazolidinone77877-19-149 % similar (4R)-3-Propanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one89028-40-049 % similar 1-(4-Benzoyl-1-piperazinyl)-1-propanone314728-85-343 % similar 2-Phenethyl propionate122-70-342 % similar 1,3-Diethyl 2-(phenylmethyl)propanedioate607-81-840 % similar Benzyl propionate122-63-440 % similar

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

Same formula

Mecarbinate15574-49-9 3-(Cyclopentyloxy)-4-methoxyphenyl isocyanate185300-51-0 Benzyl 4-oxo-1-piperidinecarboxylate19099-93-5 3-Formyl-pyrrolidine-1-carboxylicacidbenzylester276872-86-7 N-Boc-5-hydroxyindole434958-85-7 Methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate51535-00-3 1-Benzoylpiperidine-4-carboxylic acid5274-99-7

Elsewhere

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