chempirical

3-Methyl-5-isoxazoleacetic acid 98

C6H7NO3CAS 19668-85-0141.13 g/mol

Open in Covalent MOL file
NOOOH
Carboxylic acid

Properties

Molecular formula
C6H7NO3
Molar mass
141.13 g/mol
Exact mass
141.0426 Da
logP
0.61Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
19668-85-0
SMILES
CC1=NOC(=C1)CC(=O)O
InChIKey
POEFJFLAFQWOTL-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO3/c1-4-2-5(10-7-4)3-6(8)9/h2H,3H2,1H3,(H,8,9)

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Names and synonyms

1 names
  • 2-(3-Methyl-1,2-oxazol-5-yl)acetic acid

Work with 3-Methyl-5-isoxazoleacetic acid 98

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-(Bromomethyl)-3-methylisoxazole36958-61-952 % similar 3-Methyl-5-isoxazolecarboxylic acid4857-42-547 % similar 3,5-Dimethylphenylacetic acid42288-46-044 % similar 2-[(4,6-Dimethyl-2-pyrimidinyl)thio]acetic acid55749-30-943 % similar 2,4,6-Trimethylbenzeneacetic acid4408-60-042 % similar 3,5-Dimethyl-1H-pyrazole-1-acetic acid16034-49-441 % similar p-Tolylacetic acid622-47-941 % similar 1,2-Benzisoxazole-3-acetic acid4865-84-340 % similar

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

Same formula

Ethyl oxazole-5-carboxylate118994-89-1 2-Isocyanatoethyl acrylate13641-96-8 N-(2-Hydroxyethyl)maleimide1585-90-6 Methyl 5-methyl-3-isoxazolecarboxylate19788-35-3 Methyl 5-amino-2-furoate22600-30-2 Ethyl oxazole-4-carboxylate23012-14-8 3,5-Dimethyl-4-isoxazolecarboxylic acid2510-36-3 2,4-Dimethyl-1,3-oxazole-5-carboxylic acid2510-37-4

Elsewhere

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