chempirical

3,5-Dimethylisoxazole

C5H7NOCAS 300-87-897.12 g/mol

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Properties

Molecular formula
C5H7NO
Molar mass
97.12 g/mol
Exact mass
97.0528 Da
Melting point
143–145 °C
Boiling point
143 °C
logP
1.29Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
300-87-8
SMILES
Cc1cc(C)on1
InChIKey
FICAQKBMCKEFDI-UHFFFAOYSA-N
InChI
InChI=1S/C5H7NO/c1-4-3-5(2)7-6-4/h3H,1-2H3

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Names and synonyms

4 names
  • Isoxazole, 3,5-dimethyl-
  • U 21221
  • NSC 40798
  • 3,5-Dimethyl-1,2-oxazole

Work with 3,5-Dimethylisoxazole

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

3-Hydroxy-5-methylisoxazole10004-44-154 % similar 5-Amino-3-methylisoxazole14678-02-550 % similar 5-Methyl-3-isoxazolecarboxylic acid3405-77-443 % similar 5-Methyl-3-isoxazolecarbonyl chloride39499-34-843 % similar Methyl 5-methyl-3-isoxazolecarboxylate19788-35-341 % similar 3-Methyl-5-isoxazolecarboxylic acid4857-42-540 % similar Ethyl 5-methylisoxazole-3-carboxylate3209-72-137 % similar 5-Methylisoxazole5765-44-636 % similar

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

Same formula

Oxolane-3-carbonitrile14631-44-8 3-Ethoxy-2-propenenitrile61310-53-0 2-Furanmethanamine617-89-0 2,4-Dimethyloxazole7208-05-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook