5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole

C12H6Cl2N2OS — CID 718742

IUPAC5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3cccs3)no2)c(Cl)c1
InChIInChI=1S/C12H6Cl2N2OS/c13-7-3-4-8(9(14)6-7)12-15-11(16-17-12)10-2-1-5-18-10/h1-6H
InChIKeyYPFOIBRKSQRTRK-UHFFFAOYSA-N
MW297.17 g/mol
LogP4.77
Rot. Bonds2

About 5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole

5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 718742) has the molecular formula C12H6Cl2N2OS and a molecular weight of 297.17 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID718742
Molecular FormulaC12H6Cl2N2OS
Molecular Weight297.17 g/mol
Exact Mass295.96
IUPAC Name5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3cccs3)no2)c(Cl)c1
InChIInChI=1S/C12H6Cl2N2OS/c13-7-3-4-8(9(14)6-7)12-15-11(16-17-12)10-2-1-5-18-10/h1-6H
InChIKeyYPFOIBRKSQRTRK-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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Related Compounds

5-(2,4-dichlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 702922
3-(4-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 1372272
3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 8895091
5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 699599
5-(2,5-dichlorophenyl)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 30334208
5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine
CID 107811588
5-[(2-bromo-4-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 8533692
3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136967849
5-(4-methylpyrimidin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 99130250
3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 25191147
5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334480
5-(4-chloro-1-ethylpyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19332783

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole (CID 718742) is 5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole is Clc1ccc(-c2nc(-c3cccs3)no2)c(Cl)c1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is YPFOIBRKSQRTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2OS/c13-7-3-4-8(9(14)6-7)12-15-11(16-17-12)10-2-1-5-18-10/h1-6H.
What are the key properties of 5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
5-(2,4-dichlorophenyl)-3-thiophen-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 5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 718742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).