TL;DR: 3-(2,6-dichlorophenyl)-5-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,2-oxazole-4-carboxamide (CAS 153948-64-2) is a chemical compound with molecular formula C18H11Cl2F3N2O2S and molecular weight 445.98703 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,6-dichlorophenyl)-5-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,2-oxazole-4-carboxamide
Also Known As: 3-(2,6-dichlorophenyl)-5-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,2-oxazole-4-carboxamide, (3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-N-(4-(TRIFLUOROMETHYLTHIO)PHENYL)FORMAMIDE, 3-(2,6-Dichlorophenyl)-5-methyl-N-(4-((trifluoromethyl)thio)phenyl)isoxazole-4-carboxamide, [3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-N-[4-(trifluoromethylthio)pheny l]carboxamide, 3-(2,6-dichlorophenyl)-5-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]isoxazole-4-carboxamide
| Molecular Formula | C18H11Cl2F3N2O2S |
| Molecular Weight | 445.98703 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 80.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.98703 Da |
| Heavy Atoms | 28 |
| Complexity | 539.0 |
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3=CC=C(C=C3)SC(F)(F)F |
| InChIKey | WTNADNOHQOTPAJ-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that 3-(2,6-dichlorophenyl)-5-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,2-oxazole-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,6-dichlorophenyl)-5-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,2-oxazole-4-carboxamide. Following Lipinski's Rule of Five, 3-(2,6-dichlorophenyl)-5-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,2-oxazole-4-carboxamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(2,6-dichlorophenyl)-5-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,2-oxazole-4-carboxamide is 153948-64-2.
The molecular formula of 3-(2,6-dichlorophenyl)-5-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,2-oxazole-4-carboxamide is C18H11Cl2F3N2O2S.
The molecular weight of 3-(2,6-dichlorophenyl)-5-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,2-oxazole-4-carboxamide is 445.98703 g/mol.
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