3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole

C12H6BrClN2OS — CID 25191147

IUPAC3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESClc1cc(-c2noc(-c3cccs3)n2)ccc1Br
InChIInChI=1S/C12H6BrClN2OS/c13-8-4-3-7(6-9(8)14)11-15-12(17-16-11)10-2-1-5-18-10/h1-6H
InChIKeyRNWDHJIGIZKJGA-UHFFFAOYSA-N
MW341.62 g/mol
LogP4.88
Rot. Bonds2

About 3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole

3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 25191147) has the molecular formula C12H6BrClN2OS and a molecular weight of 341.62 g/mol. Its IUPAC name is 3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID25191147
Molecular FormulaC12H6BrClN2OS
Molecular Weight341.62 g/mol
Exact Mass339.91
IUPAC Name3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESClc1cc(-c2noc(-c3cccs3)n2)ccc1Br
InChIInChI=1S/C12H6BrClN2OS/c13-8-4-3-7(6-9(8)14)11-15-12(17-16-11)10-2-1-5-18-10/h1-6H
InChIKeyRNWDHJIGIZKJGA-UHFFFAOYSA-N
XLogP4.88
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.62
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 81294878
5-(4-bromo-3-chlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
CID 81290019
3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 11471260
3-[4-(4-fluorophenoxy)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53103359
5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine
CID 107811588
3-[3-(2-ethylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53138563
5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718742
3-(2,3-diethylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53172758
3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53075191
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53035951
5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 704271

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole (CID 25191147) is 3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole is Clc1cc(-c2noc(-c3cccs3)n2)ccc1Br.
What is the InChIKey of 3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is RNWDHJIGIZKJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2OS/c13-8-4-3-7(6-9(8)14)11-15-12(17-16-11)10-2-1-5-18-10/h1-6H.
What are the key properties of 3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 341.62 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 25191147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).