3-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole

C14H7Cl3N2O — CID 875810

IUPAC3-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C14H7Cl3N2O/c15-9-3-1-8(2-4-9)13-18-14(20-19-13)11-6-5-10(16)7-12(11)17/h1-7H
InChIKeyGSIPCLZEJHVFFN-UHFFFAOYSA-N
MW325.58 g/mol
LogP5.36
Rot. Bonds2

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

3-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole (PubChem CID 875810) has the molecular formula C14H7Cl3N2O and a molecular weight of 325.58 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
PubChem CID875810
Molecular FormulaC14H7Cl3N2O
Molecular Weight325.58 g/mol
Exact Mass323.96
IUPAC Name3-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C14H7Cl3N2O/c15-9-3-1-8(2-4-9)13-18-14(20-19-13)11-6-5-10(16)7-12(11)17/h1-7H
InChIKeyGSIPCLZEJHVFFN-UHFFFAOYSA-N
XLogP5.36
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole (CID 875810) is 3-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole is Clc1ccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The InChIKey is GSIPCLZEJHVFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3N2O/c15-9-3-1-8(2-4-9)13-18-14(20-19-13)11-6-5-10(16)7-12(11)17/h1-7H.
What are the key properties of 3-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole has a molecular weight of 325.58 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 875810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).