3-bromo-5-(2,6-difluoro-3-methylphenyl)-1,2,4-oxadiazole

C9H5BrF2N2O — CID 112571688

IUPAC3-bromo-5-(2,6-difluoro-3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(F)c(-c2nc(Br)no2)c1F
InChIInChI=1S/C9H5BrF2N2O/c1-4-2-3-5(11)6(7(4)12)8-13-9(10)14-15-8/h2-3H,1H3
InChIKeyFLXPICLUPCNKOR-UHFFFAOYSA-N
MW275.05 g/mol
LogP3.09
Rot. Bonds1

About 3-bromo-5-(2,6-difluoro-3-methylphenyl)-1,2,4-oxadiazole

3-bromo-5-(2,6-difluoro-3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 112571688) has the molecular formula C9H5BrF2N2O and a molecular weight of 275.05 g/mol. Its IUPAC name is 3-bromo-5-(2,6-difluoro-3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-bromo-5-(2,6-difluoro-3-methylphenyl)-1,2,4-oxadiazole
PubChem CID112571688
Molecular FormulaC9H5BrF2N2O
Molecular Weight275.05 g/mol
Exact Mass273.96
IUPAC Name3-bromo-5-(2,6-difluoro-3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(F)c(-c2nc(Br)no2)c1F
InChIInChI=1S/C9H5BrF2N2O/c1-4-2-3-5(11)6(7(4)12)8-13-9(10)14-15-8/h2-3H,1H3
InChIKeyFLXPICLUPCNKOR-UHFFFAOYSA-N
XLogP3.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.05
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-5-(2,6-difluoro-3-methylphenyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 112571626
3-bromo-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 112571789
3-chloro-5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 112572130
2-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459772
3-[5-(2-fluoro-3,6-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-2,4-dimethylbenzoic acid
CID 159928257
3-bromo-5-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 112571777
2-(1-chloroethyl)-5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazole
CID 82815077
5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117350000
2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 60836750
3-bromo-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
CID 112571697
4-chloro-2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole
CID 83158898
[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 63211461

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2,6-difluoro-3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-bromo-5-(2,6-difluoro-3-methylphenyl)-1,2,4-oxadiazole (CID 112571688) is 3-bromo-5-(2,6-difluoro-3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-bromo-5-(2,6-difluoro-3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-bromo-5-(2,6-difluoro-3-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(F)c(-c2nc(Br)no2)c1F.
What is the InChIKey of 3-bromo-5-(2,6-difluoro-3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is FLXPICLUPCNKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF2N2O/c1-4-2-3-5(11)6(7(4)12)8-13-9(10)14-15-8/h2-3H,1H3.
What are the key properties of 3-bromo-5-(2,6-difluoro-3-methylphenyl)-1,2,4-oxadiazole?
3-bromo-5-(2,6-difluoro-3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 275.05 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2,6-difluoro-3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 112571688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).