chempirical

3-Methyl-5-isoxazolecarboxylic acid

C5H5NO3CAS 4857-42-5127.10 g/mol

Open in Covalent MOL file
OHOON
Carboxylic acid

Properties

Molecular formula
C5H5NO3
Molar mass
127.10 g/mol
Exact mass
127.0269 Da
Melting point
210–211 °C
logP
0.68Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
4857-42-5
SMILES
Cc1cc(C(=O)O)on1
InChIKey
HXIYCKAAQPHZBM-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)9-6-3/h2H,1H3,(H,7,8)

Weigh it out

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

Names and synonyms

5 names
  • 5-Isoxazolecarboxylic acid, 3-methyl-
  • 5-Carboxy-3-methylisoxazole
  • U 10387
  • 3-Methyl-5-isoxazolylcarboxylic acid
  • 3-Methyl-1,2-oxazole-5-carboxylic acid

Work with 3-Methyl-5-isoxazolecarboxylic acid

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

2,5-Furandicarboxylic acid3238-40-243 % similar 5-Methyl-2-pyrazinecarboxylic acid5521-55-143 % similar 4-Methyl-2-thiazolecarboxylic acid14542-16-642 % similar 3,5-Dimethyl-4-isoxazolecarboxylic acid2510-36-342 % similar 6-Methylpicolinic acid934-60-142 % similar Oxazole-5-carboxylic acid118994-90-441 % similar 3,5-Dimethylisoxazole300-87-840 % similar 2-Hydroxy-6-methylnicotinic acid38116-61-939 % similar

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

Same formula

5-Methyl-3-isoxazolecarboxylic acid3405-77-4 5-Methylisoxazole-4-carboxylic acid42831-50-5

Elsewhere

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