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

C8H3Cl3N2O — CID 112572079

IUPAC3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
SMILESClc1noc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C8H3Cl3N2O/c9-4-2-1-3-5(10)6(4)7-12-8(11)13-14-7/h1-3H
InChIKeyGUABTAFICGZVAA-UHFFFAOYSA-N
MW249.48 g/mol
LogP3.70
Rot. Bonds1

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

3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole (PubChem CID 112572079) has the molecular formula C8H3Cl3N2O and a molecular weight of 249.48 g/mol. Its IUPAC name is 3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
PubChem CID112572079
Molecular FormulaC8H3Cl3N2O
Molecular Weight249.48 g/mol
Exact Mass247.93
IUPAC Name3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
SMILESClc1noc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C8H3Cl3N2O/c9-4-2-1-3-5(10)6(4)7-12-8(11)13-14-7/h1-3H
InChIKeyGUABTAFICGZVAA-UHFFFAOYSA-N
XLogP3.70
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.48
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,6-dichlorophenyl)-3-methylsulfanyl-1,2,4-oxadiazole
CID 4097294
[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660381
3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole
CID 112571983
3-chloro-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole
CID 107099625
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
3-chloro-5-(2-iodophenyl)-1,2,4-oxadiazole
CID 112571847
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
4,5-dibromo-3-(2,6-dichlorophenyl)-1,2-oxazole
CID 131867562
5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026121

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole (CID 112572079) is 3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole is Clc1noc(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole?
The InChIKey is GUABTAFICGZVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl3N2O/c9-4-2-1-3-5(10)6(4)7-12-8(11)13-14-7/h1-3H.
What are the key properties of 3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole?
3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole has a molecular weight of 249.48 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 112572079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).