CAS 926921-57-5|1-(Bromomethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzene|3-(3-Methyl-1,2,4-oxadiazol-5-yl)benzyl bromide|5-[3-(Bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole 97%|alpha-Bromo-3-(3-meth...

General Information

Structure

Molecular Formula

C₁₀H₉BrN₂O

Molecular Mass

253.09526

Exact Mass

251.98982492

Charge

InChI

InChI=1S/C10H9BrN2O/c1-7-12-10(14-13-7)9-4-2-3-8(5-9)6-11/h2-5H,6H2,1H3

InChIKey

WKTARCMEMVHRLR-UHFFFAOYSA-N

Canonic Smiles

BrCc1cccc(c1)c1onc(n1)C

Isomeric Smiles

BrCc1cc(ccc1)c1nc(no1)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.0716143

LogD (pH = 7.4)

3.0716147

Log P

3.0716147

Molar Refractivity

69.2505

Polarizability

22.027866

Polar Surface Area

38.92

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

alpha-Bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)toluene3-(3-Methyl-1,2,4-oxadiazol-5-yl)benzyl bromide5-[3-(Bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole 97%1-(Bromomethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzene5-[3-(bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole

IUPAC Traditional name

5-[3-(bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole

IUPAC name

5-[3-(bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole

Names and Identifiers

Registration numbers

MDL Number

MFCD09817470

CAS Number

926921-57-5

PubChem CID

24229497