TL;DR: methyl 3-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-amido]thiophene-2-carboxylate (CAS 1024580-14-0) is a chemical compound with molecular formula C17H12ClFN2O4S and molecular weight 394.01904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiophene-2-carboxylate
Also Known As: methyl 3-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-amido]thiophene-2-carboxylate, methyl 3-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-2-thiophenecarboxylate, METHYL 3-((3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYLISOXAZOL-4-YL)CARBONYLAMINO)THIOPHENE-2-CARBOXYLATE, methyl 3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiophene-2-carboxylate, methyl3-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-amido]thiophene-2-carboxylate
| Molecular Formula | C17H12ClFN2O4S |
| Molecular Weight | 394.01904 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.01904 Da |
| Heavy Atoms | 26 |
| Complexity | 543.0 |
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=C(SC=C3)C(=O)OC |
| InChIKey | FZWTULKRHGHWLF-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that methyl 3-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-amido]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-amido]thiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-amido]thiophene-2-carboxylate 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 methyl 3-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-amido]thiophene-2-carboxylate is 1024580-14-0.
The molecular formula of methyl 3-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-amido]thiophene-2-carboxylate is C17H12ClFN2O4S.
The molecular weight of methyl 3-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-amido]thiophene-2-carboxylate is 394.01904 g/mol.
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