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

C6H2Cl2N2OS — CID 60984120

IUPAC5-chloro-3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazole
SMILESClc1nc(-c2ccc(Cl)s2)no1
InChIInChI=1S/C6H2Cl2N2OS/c7-4-2-1-3(12-4)5-9-6(8)11-10-5/h1-2H
InChIKeyNLHILJFEOFBMEF-UHFFFAOYSA-N
MW221.07 g/mol
LogP3.10
Rot. Bonds1

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

5-chloro-3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazole (PubChem CID 60984120) has the molecular formula C6H2Cl2N2OS and a molecular weight of 221.07 g/mol. Its IUPAC name is 5-chloro-3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-chloro-3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazole
PubChem CID60984120
Molecular FormulaC6H2Cl2N2OS
Molecular Weight221.07 g/mol
Exact Mass219.93
IUPAC Name5-chloro-3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazole
SMILESClc1nc(-c2ccc(Cl)s2)no1
InChIInChI=1S/C6H2Cl2N2OS/c7-4-2-1-3(12-4)5-9-6(8)11-10-5/h1-2H
InChIKeyNLHILJFEOFBMEF-UHFFFAOYSA-N
XLogP3.10
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.07
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081208
3-(5-chlorothiophen-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115080890
5-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3H-1,3-benzoxazol-2-one
CID 167775250
2-(5-chlorothiophen-2-yl)-4-methylpyrimidin-5-amine
CID 130756455
5-(bromomethyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazole
CID 22394374
4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazole
CID 82125946
[2-(5-chlorothiophen-2-yl)pyrimidin-5-yl]methanol
CID 131160800
4-(chloromethyl)-2-(5-chlorothiophen-2-yl)-6-methylpyrimidine
CID 130834174
2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole
CID 79832539
4-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 62276503
1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078709
1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 62278619

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-chloro-3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazole (CID 60984120) is 5-chloro-3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-chloro-3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-chloro-3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazole is Clc1nc(-c2ccc(Cl)s2)no1.
What is the InChIKey of 5-chloro-3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazole?
The InChIKey is NLHILJFEOFBMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2N2OS/c7-4-2-1-3(12-4)5-9-6(8)11-10-5/h1-2H.
What are the key properties of 5-chloro-3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazole?
5-chloro-3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazole has a molecular weight of 221.07 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 60984120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).