5-(2,6-dichlorophenyl)-3-methylsulfanyl-1,2,4-oxadiazole

C9H6Cl2N2OS — CID 4097294

IUPAC5-(2,6-dichlorophenyl)-3-methylsulfanyl-1,2,4-oxadiazole
SMILESCSc1noc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C9H6Cl2N2OS/c1-15-9-12-8(14-13-9)7-5(10)3-2-4-6(7)11/h2-4H,1H3
InChIKeyULELZBSNIONTMH-UHFFFAOYSA-N
MW261.13 g/mol
LogP3.77
Rot. Bonds2

About 5-(2,6-dichlorophenyl)-3-methylsulfanyl-1,2,4-oxadiazole

5-(2,6-dichlorophenyl)-3-methylsulfanyl-1,2,4-oxadiazole (PubChem CID 4097294) has the molecular formula C9H6Cl2N2OS and a molecular weight of 261.13 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-3-methylsulfanyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-3-methylsulfanyl-1,2,4-oxadiazole
PubChem CID4097294
Molecular FormulaC9H6Cl2N2OS
Molecular Weight261.13 g/mol
Exact Mass259.96
IUPAC Name5-(2,6-dichlorophenyl)-3-methylsulfanyl-1,2,4-oxadiazole
SMILESCSc1noc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C9H6Cl2N2OS/c1-15-9-12-8(14-13-9)7-5(10)3-2-4-6(7)11/h2-4H,1H3
InChIKeyULELZBSNIONTMH-UHFFFAOYSA-N
XLogP3.77
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 112572079
[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660381
3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 103095565
3-(2,6-dichlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
CID 2742677
5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72866103
[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324775
5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 55204134
2-(3-butyl-1,2,4-oxadiazol-5-yl)-3-chloroaniline
CID 79405198
5-(5-methyl-1,3-oxazol-4-yl)-3-methylsulfanyl-1,2,4-oxadiazole
CID 130978297
3-(azepan-2-yl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 104541146
N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62341977
5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026121

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)-3-methylsulfanyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,6-dichlorophenyl)-3-methylsulfanyl-1,2,4-oxadiazole (CID 4097294) is 5-(2,6-dichlorophenyl)-3-methylsulfanyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-3-methylsulfanyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,6-dichlorophenyl)-3-methylsulfanyl-1,2,4-oxadiazole is CSc1noc(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 5-(2,6-dichlorophenyl)-3-methylsulfanyl-1,2,4-oxadiazole?
The InChIKey is ULELZBSNIONTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2OS/c1-15-9-12-8(14-13-9)7-5(10)3-2-4-6(7)11/h2-4H,1H3.
What are the key properties of 5-(2,6-dichlorophenyl)-3-methylsulfanyl-1,2,4-oxadiazole?
5-(2,6-dichlorophenyl)-3-methylsulfanyl-1,2,4-oxadiazole has a molecular weight of 261.13 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)-3-methylsulfanyl-1,2,4-oxadiazole is sourced from PubChem (CID 4097294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).