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

C14H8Cl2N2O — CID 893217

IUPAC3-(2-chlorophenyl)-5-(3-chlorophenyl)-1,2,4-oxadiazole
SMILESClc1cccc(-c2nc(-c3ccccc3Cl)no2)c1
InChIInChI=1S/C14H8Cl2N2O/c15-10-5-3-4-9(8-10)14-17-13(18-19-14)11-6-1-2-7-12(11)16/h1-8H
InChIKeyWWNOIDIMLSQQIB-UHFFFAOYSA-N
MW291.14 g/mol
LogP4.71
Rot. Bonds2

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

3-(2-chlorophenyl)-5-(3-chlorophenyl)-1,2,4-oxadiazole (PubChem CID 893217) has the molecular formula C14H8Cl2N2O and a molecular weight of 291.14 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(3-chlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(3-chlorophenyl)-1,2,4-oxadiazole
PubChem CID893217
Molecular FormulaC14H8Cl2N2O
Molecular Weight291.14 g/mol
Exact Mass290.00
IUPAC Name3-(2-chlorophenyl)-5-(3-chlorophenyl)-1,2,4-oxadiazole
SMILESClc1cccc(-c2nc(-c3ccccc3Cl)no2)c1
InChIInChI=1S/C14H8Cl2N2O/c15-10-5-3-4-9(8-10)14-17-13(18-19-14)11-6-1-2-7-12(11)16/h1-8H
InChIKeyWWNOIDIMLSQQIB-UHFFFAOYSA-N
XLogP4.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-(3-chlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-chlorophenyl)-5-(3-chlorophenyl)-1,2,4-oxadiazole (CID 893217) is 3-(2-chlorophenyl)-5-(3-chlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(3-chlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-(3-chlorophenyl)-1,2,4-oxadiazole is Clc1cccc(-c2nc(-c3ccccc3Cl)no2)c1.
What is the InChIKey of 3-(2-chlorophenyl)-5-(3-chlorophenyl)-1,2,4-oxadiazole?
The InChIKey is WWNOIDIMLSQQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O/c15-10-5-3-4-9(8-10)14-17-13(18-19-14)11-6-1-2-7-12(11)16/h1-8H.
What are the key properties of 3-(2-chlorophenyl)-5-(3-chlorophenyl)-1,2,4-oxadiazole?
3-(2-chlorophenyl)-5-(3-chlorophenyl)-1,2,4-oxadiazole has a molecular weight of 291.14 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-(3-chlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 893217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).