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

C8H4BrClN2O — CID 112571662

IUPAC3-bromo-5-(2-chlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccccc1-c1nc(Br)no1
InChIInChI=1S/C8H4BrClN2O/c9-8-11-7(13-12-8)5-3-1-2-4-6(5)10/h1-4H
InChIKeyNFNROYLQQQMWRB-UHFFFAOYSA-N
MW259.49 g/mol
LogP3.15
Rot. Bonds1

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

3-bromo-5-(2-chlorophenyl)-1,2,4-oxadiazole (PubChem CID 112571662) has the molecular formula C8H4BrClN2O and a molecular weight of 259.49 g/mol. Its IUPAC name is 3-bromo-5-(2-chlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-bromo-5-(2-chlorophenyl)-1,2,4-oxadiazole
PubChem CID112571662
Molecular FormulaC8H4BrClN2O
Molecular Weight259.49 g/mol
Exact Mass257.92
IUPAC Name3-bromo-5-(2-chlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccccc1-c1nc(Br)no1
InChIInChI=1S/C8H4BrClN2O/c9-8-11-7(13-12-8)5-3-1-2-4-6(5)10/h1-4H
InChIKeyNFNROYLQQQMWRB-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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-chlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-bromo-5-(2-chlorophenyl)-1,2,4-oxadiazole (CID 112571662) is 3-bromo-5-(2-chlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-bromo-5-(2-chlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-bromo-5-(2-chlorophenyl)-1,2,4-oxadiazole is Clc1ccccc1-c1nc(Br)no1.
What is the InChIKey of 3-bromo-5-(2-chlorophenyl)-1,2,4-oxadiazole?
The InChIKey is NFNROYLQQQMWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2O/c9-8-11-7(13-12-8)5-3-1-2-4-6(5)10/h1-4H.
What are the key properties of 3-bromo-5-(2-chlorophenyl)-1,2,4-oxadiazole?
3-bromo-5-(2-chlorophenyl)-1,2,4-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 3-bromo-5-(2-chlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 112571662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).