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

C6H2BrClN2OS — CID 112572132

IUPAC5-(5-bromothiophen-2-yl)-3-chloro-1,2,4-oxadiazole
SMILESClc1noc(-c2ccc(Br)s2)n1
InChIInChI=1S/C6H2BrClN2OS/c7-4-2-1-3(12-4)5-9-6(8)10-11-5/h1-2H
InChIKeyXIGABUJKBCHGNW-UHFFFAOYSA-N
MW265.52 g/mol
LogP3.21
Rot. Bonds1

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

5-(5-bromothiophen-2-yl)-3-chloro-1,2,4-oxadiazole (PubChem CID 112572132) has the molecular formula C6H2BrClN2OS and a molecular weight of 265.52 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)-3-chloro-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)-3-chloro-1,2,4-oxadiazole
PubChem CID112572132
Molecular FormulaC6H2BrClN2OS
Molecular Weight265.52 g/mol
Exact Mass263.88
IUPAC Name5-(5-bromothiophen-2-yl)-3-chloro-1,2,4-oxadiazole
SMILESClc1noc(-c2ccc(Br)s2)n1
InChIInChI=1S/C6H2BrClN2OS/c7-4-2-1-3(12-4)5-9-6(8)10-11-5/h1-2H
InChIKeyXIGABUJKBCHGNW-UHFFFAOYSA-N
XLogP3.21
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.52
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115078694
5-(1-benzothiophen-2-yl)-3-chloro-1,2,4-oxadiazole
CID 112571951
4-(5-bromothiophen-2-yl)-2-chloropyrimidine
CID 15141655
2-(5-bromothiophen-2-yl)-4,5-dimethyl-1,3-oxazole
CID 58664159
3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 112572079
2-(5-bromothiophen-2-yl)-5-chloro-1,3,4-thiadiazole
CID 63386076
4-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136827936
1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-4-yl]ethanol
CID 115083524
3-chloro-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 112571866
5-(2-bromo-5-fluorophenyl)-3-chloro-1,2,4-oxadiazole
CID 112571851
5-(4-bromo-2-methylphenyl)-3-chloro-1,2,4-oxadiazole
CID 112571812
1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 62278430

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-2-yl)-3-chloro-1,2,4-oxadiazole?
The IUPAC name of 5-(5-bromothiophen-2-yl)-3-chloro-1,2,4-oxadiazole (CID 112572132) is 5-(5-bromothiophen-2-yl)-3-chloro-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)-3-chloro-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-bromothiophen-2-yl)-3-chloro-1,2,4-oxadiazole is Clc1noc(-c2ccc(Br)s2)n1.
What is the InChIKey of 5-(5-bromothiophen-2-yl)-3-chloro-1,2,4-oxadiazole?
The InChIKey is XIGABUJKBCHGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClN2OS/c7-4-2-1-3(12-4)5-9-6(8)10-11-5/h1-2H.
What are the key properties of 5-(5-bromothiophen-2-yl)-3-chloro-1,2,4-oxadiazole?
5-(5-bromothiophen-2-yl)-3-chloro-1,2,4-oxadiazole has a molecular weight of 265.52 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-2-yl)-3-chloro-1,2,4-oxadiazole is sourced from PubChem (CID 112572132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).