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

C8H4BrClN2O — CID 70874023

IUPAC2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(Br)o2)cc1
InChIInChI=1S/C8H4BrClN2O/c9-8-12-11-7(13-8)5-1-3-6(10)4-2-5/h1-4H
InChIKeyZQCJHLYJBGDXQH-UHFFFAOYSA-N
MW259.49 g/mol
LogP3.15
Rot. Bonds1

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

2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole (PubChem CID 70874023) has the molecular formula C8H4BrClN2O and a molecular weight of 259.49 g/mol. Its IUPAC name is 2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole
PubChem CID70874023
Molecular FormulaC8H4BrClN2O
Molecular Weight259.49 g/mol
Exact Mass257.92
IUPAC Name2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(Br)o2)cc1
InChIInChI=1S/C8H4BrClN2O/c9-8-12-11-7(13-8)5-1-3-6(10)4-2-5/h1-4H
InChIKeyZQCJHLYJBGDXQH-UHFFFAOYSA-N
XLogP3.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.49
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-(4-chlorophenyl)-1,3,4-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

2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole
CID 107944228
4-(5-bromo-1,3,4-oxadiazol-2-yl)benzonitrile
CID 114771370
[4-(5-bromo-1,3,4-oxadiazol-2-yl)phenyl]methanamine
CID 84708076
N-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 70676807
2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850624
5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine
CID 1487943
2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 39347323
2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 114771088
2-bromo-5-(4-butoxyphenyl)-1,3,4-oxadiazole
CID 114771327
2-(chloromethylsulfanyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 54132706
2-(3-bromo-4-fluorophenyl)-5-chloro-1,3,4-oxadiazole
CID 107952886
2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole
CID 114771081

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole (CID 70874023) is 2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole is Clc1ccc(-c2nnc(Br)o2)cc1.
What is the InChIKey of 2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole?
The InChIKey is ZQCJHLYJBGDXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2O/c9-8-12-11-7(13-8)5-1-3-6(10)4-2-5/h1-4H.
What are the key properties of 2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole?
2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole has a molecular weight of 259.49 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 70874023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).