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

C14H10BrClN2O — CID 4963317

IUPAC5-(3-bromophenyl)-3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESClc1ccccc1C1=NC(c2cccc(Br)c2)ON1
InChIInChI=1S/C14H10BrClN2O/c15-10-5-3-4-9(8-10)14-17-13(18-19-14)11-6-1-2-7-12(11)16/h1-8,14H,(H,17,18)
InChIKeyWPCWHDPJHOQFFJ-UHFFFAOYSA-N
MW337.60 g/mol
LogP4.08
Rot. Bonds2

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

5-(3-bromophenyl)-3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 4963317) has the molecular formula C14H10BrClN2O and a molecular weight of 337.60 g/mol. Its IUPAC name is 5-(3-bromophenyl)-3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-bromophenyl)-3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazole
PubChem CID4963317
Molecular FormulaC14H10BrClN2O
Molecular Weight337.60 g/mol
Exact Mass335.97
IUPAC Name5-(3-bromophenyl)-3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESClc1ccccc1C1=NC(c2cccc(Br)c2)ON1
InChIInChI=1S/C14H10BrClN2O/c15-10-5-3-4-9(8-10)14-17-13(18-19-14)11-6-1-2-7-12(11)16/h1-8,14H,(H,17,18)
InChIKeyWPCWHDPJHOQFFJ-UHFFFAOYSA-N
XLogP4.08
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-bromophenyl)-3-(2-chlorophenyl)-2,5-dihydro-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

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 5-(3-bromophenyl)-3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazole (CID 4963317) is 5-(3-bromophenyl)-3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-bromophenyl)-3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-bromophenyl)-3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazole is Clc1ccccc1C1=NC(c2cccc(Br)c2)ON1.
What is the InChIKey of 5-(3-bromophenyl)-3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is WPCWHDPJHOQFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O/c15-10-5-3-4-9(8-10)14-17-13(18-19-14)11-6-1-2-7-12(11)16/h1-8,14H,(H,17,18).
What are the key properties of 5-(3-bromophenyl)-3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazole?
5-(3-bromophenyl)-3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 337.60 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 4963317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).