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

C8H6Cl2N2O — CID 70522365

IUPAC3-(2,5-dichlorophenyl)-2H-1,3,4-oxadiazole
SMILESClc1ccc(Cl)c(N2COC=N2)c1
InChIInChI=1S/C8H6Cl2N2O/c9-6-1-2-7(10)8(3-6)12-5-13-4-11-12/h1-4H,5H2
InChIKeyYDBWUHPLUHCGOS-UHFFFAOYSA-N
MW217.06 g/mol
LogP2.73
Rot. Bonds1

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

3-(2,5-dichlorophenyl)-2H-1,3,4-oxadiazole (PubChem CID 70522365) has the molecular formula C8H6Cl2N2O and a molecular weight of 217.06 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-2H-1,3,4-oxadiazole.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-2H-1,3,4-oxadiazole
PubChem CID70522365
Molecular FormulaC8H6Cl2N2O
Molecular Weight217.06 g/mol
Exact Mass215.99
IUPAC Name3-(2,5-dichlorophenyl)-2H-1,3,4-oxadiazole
SMILESClc1ccc(Cl)c(N2COC=N2)c1
InChIInChI=1S/C8H6Cl2N2O/c9-6-1-2-7(10)8(3-6)12-5-13-4-11-12/h1-4H,5H2
InChIKeyYDBWUHPLUHCGOS-UHFFFAOYSA-N
XLogP2.73
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-2H-1,3,4-oxadiazole?
The IUPAC name of 3-(2,5-dichlorophenyl)-2H-1,3,4-oxadiazole (CID 70522365) is 3-(2,5-dichlorophenyl)-2H-1,3,4-oxadiazole.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-2H-1,3,4-oxadiazole?
The canonical SMILES for 3-(2,5-dichlorophenyl)-2H-1,3,4-oxadiazole is Clc1ccc(Cl)c(N2COC=N2)c1.
What is the InChIKey of 3-(2,5-dichlorophenyl)-2H-1,3,4-oxadiazole?
The InChIKey is YDBWUHPLUHCGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2O/c9-6-1-2-7(10)8(3-6)12-5-13-4-11-12/h1-4H,5H2.
What are the key properties of 3-(2,5-dichlorophenyl)-2H-1,3,4-oxadiazole?
3-(2,5-dichlorophenyl)-2H-1,3,4-oxadiazole has a molecular weight of 217.06 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-2H-1,3,4-oxadiazole is sourced from PubChem (CID 70522365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).