4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole

C₉H₁₄BNO₃CAS 928664-98-6195.03 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₄BNO₃
Molar mass: 195.03 g/mol
Exact mass: 195.1067 Da
logP: 0.97Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed90.5% of notifiers
H312 Harmful in contact with skin90.5% of notifiers
H332 Harmful if inhaled90.5% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

928664-98-6

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CON=C2

InChIKey

LXCICYRNWIGDQA-UHFFFAOYSA-N

InChI

InChI=1S/C9H14BNO3/c1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h5-6H,1-4H3

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Names and synonyms

1 names

4-Isoxazoleboronic acid pinacol ester

Work with 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole

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

Pyrimidine-5-boronic acid pinacol ester321724-19-055 % similar 1,3,5-Phenyltriboronic acid, pinacol ester365564-05-254 % similar 2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-154 % similar 2-Chloropyrimidine-5-boronic acid pinacol ester1003845-08-652 % similar 2-(Furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane248924-59-652 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine181219-01-250 % similar 4-Pyrazoleboronic acid pinacol ester269410-08-450 % similar 2-Aminopyrimidine-5-boronic acid pinacol ester402960-38-750 % similar

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

Elsewhere

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