TL;DR: 5-methyl-3-phenyl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,2-oxazole-4-carboxamide (CAS 153947-61-6) is a chemical compound with molecular formula C18H13F3N2O2S and molecular weight 378.06497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-3-phenyl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,2-oxazole-4-carboxamide
Also Known As: 5-methyl-3-phenyl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,2-oxazole-4-carboxamide, (5-METHYL-3-PHENYLISOXAZOL-4-YL)-N-(4-(TRIFLUOROMETHYLTHIO)PHENYL)FORMAMIDE, 5-methyl-3-phenyl-N-[4-(trifluoromethylsulfanyl)phenyl]isoxazole-4-carboxamide, 5-methyl-3-phenyl-N-{4-[(trifluoromethyl)sulfanyl]phenyl}-1,2-oxazole-4-carboxamide
| Molecular Formula | C18H13F3N2O2S |
| Molecular Weight | 378.06497 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 80.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.06497 Da |
| Heavy Atoms | 26 |
| Complexity | 478.0 |
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)SC(F)(F)F |
| InChIKey | VEFDENDTINXHPA-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that 5-methyl-3-phenyl-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 5-methyl-3-phenyl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,2-oxazole-4-carboxamide. Following Lipinski's Rule of Five, 5-methyl-3-phenyl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,2-oxazole-4-carboxamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-methyl-3-phenyl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,2-oxazole-4-carboxamide is 153947-61-6.
The molecular formula of 5-methyl-3-phenyl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,2-oxazole-4-carboxamide is C18H13F3N2O2S.
The molecular weight of 5-methyl-3-phenyl-N-[4-(trifluoromethylsulfanyl)phenyl]-1,2-oxazole-4-carboxamide is 378.06497 g/mol.
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