chempirical

4-Iodo-3,5-dimethylisoxazole

C5H6INOCAS 10557-85-4223.01 g/mol

Open in Covalent MOL file
NOI
Aryl halide

Properties

Molecular formula
C5H6INO
Molar mass
223.01 g/mol
Exact mass
222.9494 Da
logP
1.90Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
10557-85-4
SMILES
CC1=C(C(=NO1)C)I
InChIKey
NMNOXVWRJISEFE-UHFFFAOYSA-N
InChI
InChI=1S/C5H6INO/c1-3-5(6)4(2)8-7-3/h1-2H3

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Names and synonyms

1 names
  • 4-Iodo-3,5-dimethyl-1,2-oxazole

Work with 4-Iodo-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromo-3,5-dimethylisoxazole10558-25-548 % similar 3,5-Dimethyl-4-isoxazolemethanol19788-36-443 % similar 4-(Chloromethyl)-3,5-dimethylisoxazole19788-37-543 % similar 3,5-Dimethyl-4-nitroisoxazole1123-49-539 % similar 3,5-Dimethyl-4-isoxazolecarboxylic acid2510-36-339 % similar 3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole832114-00-837 % similar 5-Amino-3,4-dimethylisoxazole19947-75-233 % similar 4-Iodo-3,5-dimethyl-1H-pyrazole2033-45-633 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook