TL;DR: 2(3H)-Oxazolone, 5-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)- (CAS 120944-14-1) is a chemical compound with molecular formula C21H21ClFN3O2 and molecular weight 401.13065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-oxazol-2-one
Also Known As: 2(3H)-Oxazolone, 5-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-, 5-(2-(4-(3-Chlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-2(3H)-oxazolone, 5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-oxazol-2-one, 5-{2-[4-(3-Chlorophenyl)piperazin-1-yl]ethyl}-4-(4-fluorophenyl)-1,3-oxazol-2(3H)-one, BRN 6538998
| Molecular Formula | C21H21ClFN3O2 |
| Molecular Weight | 401.13065 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.13065 Da |
| Heavy Atoms | 28 |
| Complexity | 586.0 |
| SMILES | C1CN(CCN1CCC2=C(NC(=O)O2)C3=CC=C(C=C3)F)C4=CC(=CC=C4)Cl |
| InChIKey | SZPHVEWNGAHVKS-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 2(3H)-Oxazolone, 5-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)- 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, 5-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Oxazolone, 5-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2(3H)-Oxazolone, 5-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)- is 120944-14-1.
The molecular formula of 2(3H)-Oxazolone, 5-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)- is C21H21ClFN3O2.
The molecular weight of 2(3H)-Oxazolone, 5-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)- is 401.13065 g/mol.
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