TL;DR: 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-4-(2-phenylethenesulfonyl)piperazine (CAS 1001997-45-0) is a chemical compound with molecular formula C23H23N3O4S and molecular weight 437.14093 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
Also Known As: 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-4-(2-phenylethenesulfonyl)piperazine, (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
| Molecular Formula | C23H23N3O4S |
| Molecular Weight | 437.14093 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 92.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.14093 Da |
| Heavy Atoms | 31 |
| Complexity | 730.0 |
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4 |
| InChIKey | IIMXZMGMKXYFMB-SFQUDFHCSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-4-(2-phenylethenesulfonyl)piperazine. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-4-(2-phenylethenesulfonyl)piperazine. Following Lipinski's Rule of Five, 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-4-(2-phenylethenesulfonyl)piperazine 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 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-4-(2-phenylethenesulfonyl)piperazine is 1001997-45-0.
The molecular formula of 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-4-(2-phenylethenesulfonyl)piperazine is C23H23N3O4S.
The molecular weight of 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-4-(2-phenylethenesulfonyl)piperazine is 437.14093 g/mol.
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