chempirical

5-Methylisoxazole

C4H5NOCAS 5765-44-683.09 g/mol

Open in Covalent MOL file
NO

Properties

Molecular formula
C4H5NO
Molar mass
83.09 g/mol
Exact mass
83.0371 Da
Density
1.0206 g/mL (at 420 °C)
Boiling point
122 °C
logP
0.98Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
5765-44-6
SMILES
Cc1ccno1
InChIKey
AGQOIYCTCOEHGR-UHFFFAOYSA-N
InChI
InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3

Weigh it out

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

Names and synonyms

2 names
  • Isoxazole, 5-methyl-
  • NSC 52269

Work with 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Isoxazolamine14678-05-842 % similar 2,5-Dimethylfuran625-86-538 % similar 3,5-Dimethylisoxazole300-87-836 % similar 3-Hydroxy-5-methylisoxazole10004-44-132 % similar 2-Methylfuran534-22-532 % similar 2,3-Dimethylpyrazine5910-89-432 % similar 5-Methyl-3-isoxazolecarboxylic acid3405-77-430 % similar 5-Methyl-3-isoxazolecarbonyl chloride39499-34-830 % similar

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

Same formula

Allyl isocyanate1476-23-9 4-Oxobutanenitrile3515-93-3 3-Methoxy-2-propenenitrile60838-50-8 4-Methyloxazole693-93-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook