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

C12H13ClN2O3 — CID 167773891

IUPAC5-(2-chlorophenyl)-3-(1,2-dimethoxyethyl)-1,2,4-oxadiazole
SMILESCOCC(OC)c1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C12H13ClN2O3/c1-16-7-10(17-2)11-14-12(18-15-11)8-5-3-4-6-9(8)13/h3-6,10H,7H2,1-2H3
InChIKeyJMMNHZBLZCQKJZ-UHFFFAOYSA-N
MW268.70 g/mol
LogP2.72
Rot. Bonds5

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

5-(2-chlorophenyl)-3-(1,2-dimethoxyethyl)-1,2,4-oxadiazole (PubChem CID 167773891) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-(1,2-dimethoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-(1,2-dimethoxyethyl)-1,2,4-oxadiazole
PubChem CID167773891
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name5-(2-chlorophenyl)-3-(1,2-dimethoxyethyl)-1,2,4-oxadiazole
SMILESCOCC(OC)c1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C12H13ClN2O3/c1-16-7-10(17-2)11-14-12(18-15-11)8-5-3-4-6-9(8)13/h3-6,10H,7H2,1-2H3
InChIKeyJMMNHZBLZCQKJZ-UHFFFAOYSA-N
XLogP2.72
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2-chlorophenyl)-3-(1,2-dimethoxyethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-(1,2-dimethoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chlorophenyl)-3-(1,2-dimethoxyethyl)-1,2,4-oxadiazole (CID 167773891) is 5-(2-chlorophenyl)-3-(1,2-dimethoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chlorophenyl)-3-(1,2-dimethoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chlorophenyl)-3-(1,2-dimethoxyethyl)-1,2,4-oxadiazole is COCC(OC)c1noc(-c2ccccc2Cl)n1.
What is the InChIKey of 5-(2-chlorophenyl)-3-(1,2-dimethoxyethyl)-1,2,4-oxadiazole?
The InChIKey is JMMNHZBLZCQKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-16-7-10(17-2)11-14-12(18-15-11)8-5-3-4-6-9(8)13/h3-6,10H,7H2,1-2H3.
What are the key properties of 5-(2-chlorophenyl)-3-(1,2-dimethoxyethyl)-1,2,4-oxadiazole?
5-(2-chlorophenyl)-3-(1,2-dimethoxyethyl)-1,2,4-oxadiazole has a molecular weight of 268.70 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-(1,2-dimethoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167773891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).