2-[2-(4-chlorophenyl)ethyl]-1,3,4-oxadiazole

C10H9ClN2O — CID 171373709

IUPAC2-[2-(4-chlorophenyl)ethyl]-1,3,4-oxadiazole
SMILESClc1ccc(CCc2nnco2)cc1
InChIInChI=1S/C10H9ClN2O/c11-9-4-1-8(2-5-9)3-6-10-13-12-7-14-10/h1-2,4-5,7H,3,6H2
InChIKeyWGMJOQXDOPANOZ-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.51
Rot. Bonds3

About 2-[2-(4-chlorophenyl)ethyl]-1,3,4-oxadiazole

2-[2-(4-chlorophenyl)ethyl]-1,3,4-oxadiazole (PubChem CID 171373709) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl]-1,3,4-oxadiazole
PubChem CID171373709
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name2-[2-(4-chlorophenyl)ethyl]-1,3,4-oxadiazole
SMILESClc1ccc(CCc2nnco2)cc1
InChIInChI=1S/C10H9ClN2O/c11-9-4-1-8(2-5-9)3-6-10-13-12-7-14-10/h1-2,4-5,7H,3,6H2
InChIKeyWGMJOQXDOPANOZ-UHFFFAOYSA-N
XLogP2.51
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-1,3,4-oxadiazole (CID 171373709) is 2-[2-(4-chlorophenyl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl]-1,3,4-oxadiazole is Clc1ccc(CCc2nnco2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl]-1,3,4-oxadiazole?
The InChIKey is WGMJOQXDOPANOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-9-4-1-8(2-5-9)3-6-10-13-12-7-14-10/h1-2,4-5,7H,3,6H2.
What are the key properties of 2-[2-(4-chlorophenyl)ethyl]-1,3,4-oxadiazole?
2-[2-(4-chlorophenyl)ethyl]-1,3,4-oxadiazole has a molecular weight of 208.65 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 171373709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).