chempirical

3,5-Dimethylisoxazole-4-boronic acid

C5H8BNO3CAS 16114-47-9140.93 g/mol

Open in Covalent MOL file
BONOHHO
Boronic acid

Properties

Molecular formula
C5H8BNO3
Molar mass
140.93 g/mol
Exact mass
141.0597 Da
logP
-1.03Crippen estimate
Polar surface area
66.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
16114-47-9
SMILES
B(C1=C(ON=C1C)C)(O)O
InChIKey
DIIFZCPZIRQDIJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H8BNO3/c1-3-5(6(8)9)4(2)10-7-3/h8-9H,1-2H3

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Work with 3,5-Dimethylisoxazole-4-boronic 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

3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole832114-00-850 % similar 3,5-Dimethyl-4-isoxazolemethanol19788-36-444 % similar 4-Iodo-3,5-dimethylisoxazole10557-85-443 % similar 3,5-Dimethyl-4-isoxazolecarboxylic acid2510-36-340 % similar 4-(Chloromethyl)-3,5-dimethylisoxazole19788-37-539 % similar 5-Amino-3,4-dimethylisoxazole19947-75-230 % similar

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

Elsewhere

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