5-(2-chloro-6-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
TL;DR: 5-(2-chloro-6-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (CAS 896839-31-9) is a chemical compound with molecular formula C16H12ClFN4O2 and molecular weight 346.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
Also Known As: 5-(2-chloro-6-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide, 5-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
| Molecular Formula | C16H12ClFN4O2 |
|---|---|
| Molecular Weight | 346.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.0633 |
| Heavy Atoms | 24 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 896839-31-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CC2=NN=C(O2)C(=O)NCC3=CC=NC=C3)F |
| InChIKey | NFXLVPJUOHQLKW-UHFFFAOYSA-N |
Product Overview
5-(2-chloro-6-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (CAS 896839-31-9), with molecular formula C16H12ClFN4O2 and molecular weight 346.06 g/mol. IUPAC: 5-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.
Chemical Property Profile of 5-(2-chloro-6-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
Property Insights of 5-(2-chloro-6-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-chloro-6-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-chloro-6-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide. Following Lipinski's Rule of Five, 5-(2-chloro-6-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(2-chloro-6-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The CAS number of 5-(2-chloro-6-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is 896839-31-9.
What is the molecular formula of 5-(2-chloro-6-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The molecular formula of 5-(2-chloro-6-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is C16H12ClFN4O2.
What is the molecular weight of 5-(2-chloro-6-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The molecular weight of 5-(2-chloro-6-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is 346.06 g/mol.
Where can I buy 5-(2-chloro-6-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
You can request a quote for 5-(2-chloro-6-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-chloro-6-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-chloro-6-fluorobenzyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazole-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.