Ethyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
TL;DR: Ethyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate (CAS 163719-69-5) is a chemical compound with molecular formula C11H9ClN2O3 and molecular weight 252.03017 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
Also Known As: ethyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate, 5252AD, ethyl 3-(4-chlorophenyl)-[1,2,4]oxadiazole-5-carboxylate, 1,2,4-oxadiazole-5-carboxylic acid, 3-(4-chlorophenyl)-, ethyl ester, 3-(4-Chloro-phenyl)-[1,2,4]oxadiazole-5-carboxylic acid ethyl ester
Technical Specifications
| Molecular Formula | C11H9ClN2O3 |
| Molecular Weight | 252.03017 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 65.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.03017 Da |
| Heavy Atoms | 17 |
| Complexity | 269.0 |
| SMILES | CCOC(=O)C1=NC(=NO1)C2=CC=C(C=C2)Cl |
| InChIKey | DNTKXLXLDDGVOB-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
Property Insights of Ethyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
The XLogP value of 3.0 indicates that Ethyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate?
The CAS number of Ethyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate is 163719-69-5.
What is the molecular formula of Ethyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate?
The molecular formula of Ethyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate is C11H9ClN2O3.
What is the molecular weight of Ethyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate?
The molecular weight of Ethyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate is 252.03017 g/mol.
Where can I buy Ethyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate?
You can request a quote for Ethyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.