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

C12H6Cl2N2OS — CID 2807954

IUPAC3-(4-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(-c3sccc3Cl)n2)cc1
InChIInChI=1S/C12H6Cl2N2OS/c13-8-3-1-7(2-4-8)11-15-12(17-16-11)10-9(14)5-6-18-10/h1-6H
InChIKeyQZRBEJJCGIGWEC-UHFFFAOYSA-N
MW297.17 g/mol
LogP4.77
Rot. Bonds2

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

3-(4-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazole (PubChem CID 2807954) has the molecular formula C12H6Cl2N2OS and a molecular weight of 297.17 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazole
PubChem CID2807954
Molecular FormulaC12H6Cl2N2OS
Molecular Weight297.17 g/mol
Exact Mass295.96
IUPAC Name3-(4-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(-c3sccc3Cl)n2)cc1
InChIInChI=1S/C12H6Cl2N2OS/c13-8-3-1-7(2-4-8)11-15-12(17-16-11)10-9(14)5-6-18-10/h1-6H
InChIKeyQZRBEJJCGIGWEC-UHFFFAOYSA-N
XLogP4.77
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazole (CID 2807954) is 3-(4-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazole is Clc1ccc(-c2noc(-c3sccc3Cl)n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazole?
The InChIKey is QZRBEJJCGIGWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2OS/c13-8-3-1-7(2-4-8)11-15-12(17-16-11)10-9(14)5-6-18-10/h1-6H.
What are the key properties of 3-(4-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazole has a molecular weight of 297.17 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 2807954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).