2-(4-Cyanophenyl)-5-methoxy-1,3,4-oxadiazole
TL;DR: 2-(4-Cyanophenyl)-5-methoxy-1,3,4-oxadiazole (CAS 109684-94-8) is a chemical compound with molecular formula C10H7N3O2 and molecular weight 201.05383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(5-methoxy-1,3,4-oxadiazol-2-yl)benzonitrile
Also Known As: 2-(4-Cyanophenyl)-5-methoxy-1,3,4-oxadiazole, 4-(5-methoxy-1,3,4-oxadiazol-2-yl)benzonitrile
Technical Specifications
| Molecular Formula | C10H7N3O2 |
| Molecular Weight | 201.05383 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.05383 Da |
| Heavy Atoms | 15 |
| Complexity | 255.0 |
| SMILES | COC1=NN=C(O1)C2=CC=C(C=C2)C#N |
| InChIKey | PVLIPXBIWKNRFI-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Cyanophenyl)-5-methoxy-1,3,4-oxadiazole
Property Insights of 2-(4-Cyanophenyl)-5-methoxy-1,3,4-oxadiazole
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Cyanophenyl)-5-methoxy-1,3,4-oxadiazole. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Cyanophenyl)-5-methoxy-1,3,4-oxadiazole. Following Lipinski's Rule of Five, 2-(4-Cyanophenyl)-5-methoxy-1,3,4-oxadiazole 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 2-(4-Cyanophenyl)-5-methoxy-1,3,4-oxadiazole?
The CAS number of 2-(4-Cyanophenyl)-5-methoxy-1,3,4-oxadiazole is 109684-94-8.
What is the molecular formula of 2-(4-Cyanophenyl)-5-methoxy-1,3,4-oxadiazole?
The molecular formula of 2-(4-Cyanophenyl)-5-methoxy-1,3,4-oxadiazole is C10H7N3O2.
What is the molecular weight of 2-(4-Cyanophenyl)-5-methoxy-1,3,4-oxadiazole?
The molecular weight of 2-(4-Cyanophenyl)-5-methoxy-1,3,4-oxadiazole is 201.05383 g/mol.
Where can I buy 2-(4-Cyanophenyl)-5-methoxy-1,3,4-oxadiazole?
You can request a quote for 2-(4-Cyanophenyl)-5-methoxy-1,3,4-oxadiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Cyanophenyl)-5-methoxy-1,3,4-oxadiazole?
Yes, CoreyChem provides custom synthesis services for 2-(4-Cyanophenyl)-5-methoxy-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.