chempirical

3-Hydroxy-5-methylisoxazole

C4H5NO2CAS 10004-44-199.09 g/mol

Open in Covalent MOL file
OHNO
Phenol

Properties

Molecular formula
C4H5NO2
Molar mass
99.09 g/mol
Exact mass
99.0320 Da
Melting point
86.5 °C
logP
0.69Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
10004-44-1
SMILES
Cc1cc(O)no1
InChIKey
KGVPNLBXJKTABS-UHFFFAOYSA-N
InChI
InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)

Weigh it out

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

Names and synonyms

16 names · show all
  • 3(2H)-Isoxazolone, 5-methyl-
  • 3-Isoxazolol, 5-methyl-
  • 5-Methyl-3(2H)-isoxazolone
  • Tachigaren
  • 5-Methyl-3-hydroxyisoxazole
  • Hymexazole
  • Hymexazol
  • F 319 (Fungicide)
  • Hydroxyisoxazole (pesticide)
  • Butsid
  • Bucid
  • Hydroxyisoxazole
  • F 319
  • NSC 217971
  • 5-Methylisoxazol-3-ol
  • 5-Methyl-1,2-oxazol-3-ol

Work with 3-Hydroxy-5-methylisoxazole

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

3,5-Dimethylisoxazole300-87-854 % similar 5-Methyl-3-isoxazolecarboxylic acid3405-77-444 % similar 5-Methyl-3-isoxazolecarbonyl chloride39499-34-839 % similar Methyl 5-methyl-3-isoxazolecarboxylate19788-35-337 % similar 6-Hydroxy-4-methyl-2-pyridone4664-16-837 % similar Ibotenic acid2552-55-834 % similar Ethyl 5-methylisoxazole-3-carboxylate3209-72-134 % similar 2-Hydroxy-4,6-dimethylpyrimidine hydrochloride34289-60-633 % similar

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

Same formula

Methyl cyanoacetate105-34-0 Succinimide123-56-8 Methyl isocyanoacetate39687-95-1 Ethyl cyanoformate623-49-4

Elsewhere

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