CAS 832114-00-8|3,5-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole|3,5-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole|3,5-Dimethylisoxazole-4-boronic acid, pinacol ester ...

General Information

Structure

Molecular Formula

C₁₁H₁₈BNO₃

Molecular Mass

223.07652

Exact Mass

223.13797384

Charge

InChI

InChI=1S/C11H18BNO3/c1-7-9(8(2)14-13-7)12-15-10(3,4)11(5,6)16-12/h1-6H3

InChIKey

CVLHETBAROWASE-UHFFFAOYSA-N

Canonic Smiles

Cc1onc(c1B1OC(C(O1)(C)C)(C)C)C

Isomeric Smiles

B1(c2c(onc2C)C)OC(C(O1)(C)C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.5902762

LogD (pH = 7.4)

2.5902996

Log P

2.5903

Molar Refractivity

56.8963

Polarizability

23.529745

Polar Surface Area

44.49

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

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

IUPAC Traditional name

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

Synonyms

3,5-Dimethylisoxazole-4-boronic acid, pinacol ester 97%3,5-Dimethylisoxazole-4-boronic acid pinacol ester3,5-二甲基-4-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)异噁唑3,5-二甲基异噁唑硼酸频哪醇酯3,5-二甲基异噁唑-4-硼酸频哪醇酯3,5-Dimethylisoxazoleboronic acid pinacol ester3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)isoxazole3,5-Dimethylisoxazole-4-boronic acid, pinacol ester3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)isoxazole

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties