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

C14H8BrClN2O — CID 870077

IUPAC5-(3-bromophenyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccccc1-c1noc(-c2cccc(Br)c2)n1
InChIInChI=1S/C14H8BrClN2O/c15-10-5-3-4-9(8-10)14-17-13(18-19-14)11-6-1-2-7-12(11)16/h1-8H
InChIKeyVINGGSBKWJVCCV-UHFFFAOYSA-N
MW335.59 g/mol
LogP4.82
Rot. Bonds2

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

5-(3-bromophenyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole (PubChem CID 870077) has the molecular formula C14H8BrClN2O and a molecular weight of 335.59 g/mol. Its IUPAC name is 5-(3-bromophenyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-bromophenyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole
PubChem CID870077
Molecular FormulaC14H8BrClN2O
Molecular Weight335.59 g/mol
Exact Mass333.95
IUPAC Name5-(3-bromophenyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccccc1-c1noc(-c2cccc(Br)c2)n1
InChIInChI=1S/C14H8BrClN2O/c15-10-5-3-4-9(8-10)14-17-13(18-19-14)11-6-1-2-7-12(11)16/h1-8H
InChIKeyVINGGSBKWJVCCV-UHFFFAOYSA-N
XLogP4.82
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.59
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-bromophenyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole (CID 870077) is 5-(3-bromophenyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-bromophenyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-bromophenyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole is Clc1ccccc1-c1noc(-c2cccc(Br)c2)n1.
What is the InChIKey of 5-(3-bromophenyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole?
The InChIKey is VINGGSBKWJVCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O/c15-10-5-3-4-9(8-10)14-17-13(18-19-14)11-6-1-2-7-12(11)16/h1-8H.
What are the key properties of 5-(3-bromophenyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole?
5-(3-bromophenyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole has a molecular weight of 335.59 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 870077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).