TL;DR: 1-(2-Furoyl)-4-{[5-(4-methylphenyl)-3-isoxazolyl]carbonyl}piperazine (CAS 717875-21-3) is a chemical compound with molecular formula C20H19N3O4 and molecular weight 365.13754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
furan-2-yl-[4-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methanone
Also Known As: BAS 09529889, AN-329/43211219, 1-(2-furoyl)-4-{[5-(4-methylphenyl)-3-isoxazolyl]carbonyl}piperazine, furan-2-yl-[4-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methanone, [4-(Furan-2-carbonyl)-piperazin-1-yl]-(5-p-tolyl-isoxazol-3-yl)-methanone
| Molecular Formula | C20H19N3O4 |
| Molecular Weight | 365.13754 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.13754 Da |
| Heavy Atoms | 27 |
| Complexity | 541.0 |
| SMILES | CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4 |
| InChIKey | HGHUCBSAGPRILS-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Furoyl)-4-{[5-(4-methylphenyl)-3-isoxazolyl]carbonyl}piperazine. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Furoyl)-4-{[5-(4-methylphenyl)-3-isoxazolyl]carbonyl}piperazine. Following Lipinski's Rule of Five, 1-(2-Furoyl)-4-{[5-(4-methylphenyl)-3-isoxazolyl]carbonyl}piperazine has 0 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 1-(2-Furoyl)-4-{[5-(4-methylphenyl)-3-isoxazolyl]carbonyl}piperazine is 717875-21-3.
The molecular formula of 1-(2-Furoyl)-4-{[5-(4-methylphenyl)-3-isoxazolyl]carbonyl}piperazine is C20H19N3O4.
The molecular weight of 1-(2-Furoyl)-4-{[5-(4-methylphenyl)-3-isoxazolyl]carbonyl}piperazine is 365.13754 g/mol.
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