3,5-Dimethylisoxazole-4-boronic acid

C₅H₈BNO₃CAS 16114-47-9140.93 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₈BNO₃
Molar mass: 140.93 g/mol
Exact mass: 141.0597 Da
logP: -1.03Crippen estimate
Polar surface area: 66.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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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 4-Bromo-3,5-dimethylisoxazole10558-25-543 % similar 4-Amino-3,5-dimethylisoxazole31329-64-343 % similar 3,5-Dimethyl-4-isoxazolecarboxylic acid2510-36-340 % similar 3,5-Dimethylisoxazole-4-carbonyl chloride31301-45-840 % similar 4-(Chloromethyl)-3,5-dimethylisoxazole19788-37-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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