TL;DR: 2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-(2,3,4-trichlorophenyl)-1-piperazinyl)ethyl)-, monohydrochloride (CAS 120944-22-1) is a chemical compound with molecular formula C21H20Cl4FN3O2 and molecular weight 505.02936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-fluorophenyl)-5-[2-[4-(2,3,4-trichlorophenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one;hydrochloride
Also Known As: 2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-(2,3,4-trichlorophenyl)-1-piperazinyl)ethyl)-, monohydrochloride, 4-(4-Fluorophenyl)-5-(2-(4-(2,3,4-trichlorophenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl, 4-(4-fluorophenyl)-5-[2-[4-(2,3,4-trichlorophenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one hydrochloride, 4-(4-Fluorophenyl)-5-{2-[4-(2,3,4-trichlorophenyl)piperazin-1-yl]ethyl}-1,3-oxazol-2(3H)-one--hydrogen chloride (1/1)
| Molecular Formula | C21H20Cl4FN3O2 |
| Molecular Weight | 505.02936 g/mol |
| XLogP | 5.5207 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 505.02936 Da |
| Heavy Atoms | 31 |
| Complexity | 651.0 |
| SMILES | C1CN(CCN1CCC2=C(NC(=O)O2)C3=CC=C(C=C3)F)C4=C(C(=C(C=C4)Cl)Cl)Cl.Cl |
| InChIKey | JAAGPFRXJOVXHN-UHFFFAOYSA-N |
The XLogP value of 5.5207 indicates that 2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-(2,3,4-trichlorophenyl)-1-piperazinyl)ethyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-(2,3,4-trichlorophenyl)-1-piperazinyl)ethyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-(2,3,4-trichlorophenyl)-1-piperazinyl)ethyl)-, monohydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-(2,3,4-trichlorophenyl)-1-piperazinyl)ethyl)-, monohydrochloride is 120944-22-1.
The molecular formula of 2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-(2,3,4-trichlorophenyl)-1-piperazinyl)ethyl)-, monohydrochloride is C21H20Cl4FN3O2.
The molecular weight of 2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-(2,3,4-trichlorophenyl)-1-piperazinyl)ethyl)-, monohydrochloride is 505.02936 g/mol.
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