(5R)-5-(2,2-Dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one

C₁₃H₁₅NO₄CAS 452339-73-0249.27 g/mol

Open in Covalent MOL file

Acetal Ether

Properties

Molecular formula: C₁₃H₁₅NO₄
Molar mass: 249.27 g/mol
Exact mass: 249.1001 Da
logP: 2.32Crippen estimate
Polar surface area: 60.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H318 Causes serious eye damage25% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

452339-73-0

SMILES

CC1(C)OCc2cc([C@@H]3CN=C(O)O3)ccc2O1

InChIKey

JUEBDVANOFZMMX-NSHDSACASA-N

InChI

InChI=1S/C13H15NO4/c1-13(2)16-7-9-5-8(3-4-10(9)18-13)11-6-14-12(15)17-11/h3-5,11H,6-7H2,1-2H3,(H,14,15)/t11-/m0/s1

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

Names and synonyms

4 names

(R)-5-(2,2-Dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one
2-Oxazolidinone, 5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-, (5R)-
(5R)-5-(2,2-Dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxazolidinone
(R)-5-(2,2-Dimethyl-4H-benzo[d][1,3]dioxin-6-yl)oxazolidin-2-one

Work with (5R)-5-(2,2-Dimethyl-4H-1,3-benzodioxin-6-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

Similar compounds

1,1-Dimethylethyl N-[2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]carbamate452339-71-849 % similar Carbamic acid, [(2R)-2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-hydroxyethyl]-, 1,1-dimethylethyl ester452339-72-946 % similar Ethanone, 2-bromo-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-102293-80-142 % similar Metaxalone1665-48-133 % similar Bendiocarb22781-23-331 % similar

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

Same formula

Benzyloxycarbonyl-L-proline1148-11-4 1-N-Cbz-pyrrolidine-3-carboxylic acid188527-21-1 N-(Benzyloxycarbonyl)-D-proline6404-31-5 Methyl 1-cbz-azetidine-3-carboxylate757239-60-4

Elsewhere

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