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

C12H6BrClN2OS — CID 10154401

IUPAC5-(3-bromothiophen-2-yl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(-c3sccc3Br)n2)cc1
InChIInChI=1S/C12H6BrClN2OS/c13-9-5-6-18-10(9)12-15-11(16-17-12)7-1-3-8(14)4-2-7/h1-6H
InChIKeyNZMOXTZNNPGZDD-UHFFFAOYSA-N
MW341.62 g/mol
LogP4.88
Rot. Bonds2

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

5-(3-bromothiophen-2-yl)-3-(4-chlorophenyl)-1,2,4-oxadiazole (PubChem CID 10154401) has the molecular formula C12H6BrClN2OS and a molecular weight of 341.62 g/mol. Its IUPAC name is 5-(3-bromothiophen-2-yl)-3-(4-chlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-bromothiophen-2-yl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
PubChem CID10154401
Molecular FormulaC12H6BrClN2OS
Molecular Weight341.62 g/mol
Exact Mass339.91
IUPAC Name5-(3-bromothiophen-2-yl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(-c3sccc3Br)n2)cc1
InChIInChI=1S/C12H6BrClN2OS/c13-9-5-6-18-10(9)12-15-11(16-17-12)7-1-3-8(14)4-2-7/h1-6H
InChIKeyNZMOXTZNNPGZDD-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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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromothiophen-2-yl)-3-(4-chlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-bromothiophen-2-yl)-3-(4-chlorophenyl)-1,2,4-oxadiazole (CID 10154401) is 5-(3-bromothiophen-2-yl)-3-(4-chlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-bromothiophen-2-yl)-3-(4-chlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-bromothiophen-2-yl)-3-(4-chlorophenyl)-1,2,4-oxadiazole is Clc1ccc(-c2noc(-c3sccc3Br)n2)cc1.
What is the InChIKey of 5-(3-bromothiophen-2-yl)-3-(4-chlorophenyl)-1,2,4-oxadiazole?
The InChIKey is NZMOXTZNNPGZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2OS/c13-9-5-6-18-10(9)12-15-11(16-17-12)7-1-3-8(14)4-2-7/h1-6H.
What are the key properties of 5-(3-bromothiophen-2-yl)-3-(4-chlorophenyl)-1,2,4-oxadiazole?
5-(3-bromothiophen-2-yl)-3-(4-chlorophenyl)-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 5-(3-bromothiophen-2-yl)-3-(4-chlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 10154401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).