(S)-(-)-4-tert-Butyl-2-oxazolidinone

C₇H₁₃NO₂CAS 54705-42-9143.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₃NO₂
Molar mass: 143.19 g/mol
Exact mass: 143.0946 Da
logP: 1.14Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0
Stereocentres: 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

54705-42-9

SMILES

CC(C)(C)[C@H]1COC(=O)N1

InChIKey

WKUHGFGTMLOSKM-RXMQYKEDSA-N

InChI

InChI=1S/C7H13NO2/c1-7(2,3)5-4-10-6(9)8-5/h5H,4H2,1-3H3,(H,8,9)/t5-/m1/s1

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Names and synonyms

1 names

(S)-4-tert-Butyloxazolidin-2-one

Work with (S)-(-)-4-tert-Butyl-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

Similar compounds

(4S)-(-)-4-Isopropyl-2-oxazolidinone17016-83-045 % similar (R)-tert-Butyl (2-oxooxetan-3-yl)carbamate126330-77-642 % similar N-(tert-Butoxycarbonyl)-L-serine beta-lactone98541-64-142 % similar tert-Butyl (7R)-5-azaspiro(2.4)heptan-7-ylcarbamate127199-44-441 % similar 3-N-Boc-amino-azetidine91188-13-540 % similar Boc-D-alpha-T-butylglycine124655-17-039 % similar tert-Butyl 3-oxocyclobutylcarbamate154748-49-939 % similar N-1-Boc-amino-3-cyclopentene193751-54-139 % similar

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

Same formula

Ethyl (2E)-3-(dimethylamino)-2-propenoate1117-37-9 Isopropyl β-aminocrotonate14205-46-0 2,2-Diethoxy-1-isocyanoethane15586-32-0 Methyl (3R)-3-piperidinecarboxylate164323-85-7 1,4-Dioxa-8-azaspiro(4.5)decane177-11-7 4-Aminocyclohexanecarboxylic acid1776-53-0 3,3-Diethoxypropiononitrile2032-34-0 N-(2-Hydroxypropyl)methacrylamide21442-01-3

Elsewhere

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