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

C17H14Cl2N2O — CID 2742676

IUPAC3-(2,6-dichlorophenyl)-5-(4-propylphenyl)-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2nc(-c3c(Cl)cccc3Cl)no2)cc1
InChIInChI=1S/C17H14Cl2N2O/c1-2-4-11-7-9-12(10-8-11)17-20-16(21-22-17)15-13(18)5-3-6-14(15)19/h3,5-10H,2,4H2,1H3
InChIKeyYPCDUQSXLWUOGM-UHFFFAOYSA-N
MW333.22 g/mol
LogP5.66
Rot. Bonds4

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

3-(2,6-dichlorophenyl)-5-(4-propylphenyl)-1,2,4-oxadiazole (PubChem CID 2742676) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-(4-propylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-(4-propylphenyl)-1,2,4-oxadiazole
PubChem CID2742676
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name3-(2,6-dichlorophenyl)-5-(4-propylphenyl)-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2nc(-c3c(Cl)cccc3Cl)no2)cc1
InChIInChI=1S/C17H14Cl2N2O/c1-2-4-11-7-9-12(10-8-11)17-20-16(21-22-17)15-13(18)5-3-6-14(15)19/h3,5-10H,2,4H2,1H3
InChIKeyYPCDUQSXLWUOGM-UHFFFAOYSA-N
XLogP5.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.22
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-5-(4-propylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-(4-propylphenyl)-1,2,4-oxadiazole (CID 2742676) is 3-(2,6-dichlorophenyl)-5-(4-propylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-(4-propylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-(4-propylphenyl)-1,2,4-oxadiazole is CCCc1ccc(-c2nc(-c3c(Cl)cccc3Cl)no2)cc1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-(4-propylphenyl)-1,2,4-oxadiazole?
The InChIKey is YPCDUQSXLWUOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c1-2-4-11-7-9-12(10-8-11)17-20-16(21-22-17)15-13(18)5-3-6-14(15)19/h3,5-10H,2,4H2,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-5-(4-propylphenyl)-1,2,4-oxadiazole?
3-(2,6-dichlorophenyl)-5-(4-propylphenyl)-1,2,4-oxadiazole has a molecular weight of 333.22 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-5-(4-propylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2742676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).