chempirical

Metaxalone

C12H15NO3CAS 1665-48-1221.26 g/mol

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OHNOO
Ether

Properties

Molecular formula
C12H15NO3
Molar mass
221.26 g/mol
Exact mass
221.1052 Da
Melting point
121.5–123 °C
logP
2.00Crippen estimate
Polar surface area
51.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
1665-48-1
SMILES
Cc1cc(C)cc(OCC2CN=C(O)O2)c1
InChIKey
IMWZZHHPURKASS-UHFFFAOYSA-N
InChI
InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)

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Names and synonyms

13 names · show all
  • Flexura
  • rac-5-[(3,5-Dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
  • 2-Oxazolidinone, 5-[(3,5-dimethylphenoxy)methyl]-
  • 2-Oxazolidinone, 5-[(3,5-xylyloxy)methyl]-
  • 5-[(3,5-Dimethylphenoxy)methyl]-2-oxazolidinone
  • AHR 438
  • Metazalone
  • Metazolone
  • Skelaxin
  • 5-[(3,5-Xylyloxy)methyl]-2-oxazolidinone
  • Zorane
  • Metaxalon
  • NSC 170959

Work with Metaxalone

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

5-(Chloromethyl)-2-oxazolidinone22625-57-643 % similar Promecarb2631-37-042 % similar Metolcarb1129-41-539 % similar (5R)-5-(2,2-Dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one452339-73-033 % similar Xylylcarb2425-10-731 % similar 1-Methoxy-3,5-dimethylbenzene874-63-531 % similar 2-(3-Methylphenoxy)acetic acid1643-15-830 % similar

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

Same formula

(R)-(-)-1-CBZ-3-pyrrolidinol100858-33-1 Benzyl (1-(hydroxymethyl)cyclopropyl)carbamate103500-22-7 N-(4-Ethoxyphenyl)-3-oxobutanamide122-82-7 Carbofuran1563-66-2 2-Acetyl-4-butyramidophenol40188-45-2

Elsewhere

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