TL;DR: 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole (CAS 1005625-28-4) is a chemical compound with molecular formula C15H13ClF2N4O and molecular weight 338.0746 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole
Also Known As: 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole, 2-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole, 2-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethyl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole
| Molecular Formula | C15H13ClF2N4O |
| Molecular Weight | 338.0746 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 56.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.0746 Da |
| Heavy Atoms | 23 |
| Complexity | 398.0 |
| SMILES | CC1=C(C(=NN1CCC2=NN=C(O2)C3=C(C=CC=C3F)F)C)Cl |
| InChIKey | VSGIJVCXGXQZQG-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.7 Ų, 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole is 1005625-28-4.
The molecular formula of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole is C15H13ClF2N4O.
The molecular weight of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole is 338.0746 g/mol.
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