4-Bromo-3,5-dimethylisoxazole

C₅H₆BrNOCAS 10558-25-5176.01 g/mol

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Properties

Molecular formula: C₅H₆BrNO
Molar mass: 176.01 g/mol
Exact mass: 174.9633 Da
logP: 2.05Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

10558-25-5

SMILES

CC1=C(C(=NO1)C)Br

InChIKey

GYHZPSUAMYIFQD-UHFFFAOYSA-N

InChI

InChI=1S/C5H6BrNO/c1-3-5(6)4(2)8-7-3/h1-2H3

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Names and synonyms

1 names

4-Bromo-3,5-dimethyl-1,2-oxazole

Work with 4-Bromo-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-Iodo-3,5-dimethylisoxazole10557-85-448 % 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 Trimethyloxazole20662-84-436 % similar 5-Amino-3,4-dimethylisoxazole19947-75-233 % similar

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

Elsewhere

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