(4R)-3-Propanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one

C₉H₁₅NO₃CAS 89028-40-0185.22 g/mol

Open in Covalent MOL file

Amide Carbamate

Properties

Molecular formula: C₉H₁₅NO₃
Molar mass: 185.22 g/mol
Exact mass: 185.1052 Da
logP: 1.40Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2
Stereocentres: Rin 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

89028-40-0

SMILES

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

InChIKey

HOWPHXVPNNPSAZ-ZETCQYMHSA-N

InChI

InChI=1S/C9H15NO3/c1-4-8(11)10-7(6(2)3)5-13-9(10)12/h6-7H,4-5H2,1-3H3/t7-/m0/s1

Weigh it out

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

Names and synonyms

1 names

(R)-(-)-3-Propionyl-4-isopropyl-2-oxazolidinone

Work with (4R)-3-Propanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one

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-Isopropyl-3-propionyl-2-oxazolidinone77877-19-1Enantiomer

Similar compounds

(4S)-3-(1-Oxopropyl)-4-phenyl-2-oxazolidinone184363-66-451 % similar (4S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone101711-78-849 % similar (R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone131685-53-549 % similar Hexahydro-1,3,5-tripropionyl-s-triazine30805-19-734 % similar N,N-Dimethylpropionamide758-96-334 % similar Diethylpropionamide1114-51-833 % similar (4S)-(-)-4-Isopropyl-2-oxazolidinone17016-83-033 % similar Isobutyl propionate540-42-133 % similar

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

Same formula

3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-7 tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-2 tert-Butyl 3-oxocyclobutylcarbamate154748-49-9 tert-Butyl 3-formylazetidine-1-carboxylate177947-96-5 tert-Butyl (2R)-5-oxopyrrolidine-2-carboxylate205524-46-5 5-Oxo-L-proline 1,1-dimethylethyl ester35418-16-7 Ethyl 2-acetyl-3-(dimethylamino)acrylate51145-57-4

Elsewhere

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