Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
TL;DR: Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate (CAS 16691-25-1) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.06914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
Also Known As: ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate, 2,3-Diamino-5-chloropyridine, 8502AA, 1,3,4-Oxadiazole-2-carboxylic acid, 5-phenyl-, ethyl ester, IDI1_026901
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H10N2O3 |
| Molecular Weight | 218.06914 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 65.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.06914 Da |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
| SMILES | CCOC(=O)C1=NN=C(O1)C2=CC=CC=C2 |
| InChIKey | IHWHTIPPAPNKLN-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
Property Insights of Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-phenyl-1,3,4-oxadiazole-2-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 5-phenyl-1,3,4-oxadiazole-2-carboxylate?
The CAS number of Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate is 16691-25-1.
What is the molecular formula of Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate?
The molecular formula of Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate is C11H10N2O3.
What is the molecular weight of Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate?
The molecular weight of Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate is 218.06914 g/mol.
Where can I buy Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate?
You can request a quote for Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.