TL;DR: 2-(4-chlorophenyl)-3-(furan-2-yl)-5-(4-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1005116-13-1) is a chemical compound with molecular formula C22H17ClN2O4 and molecular weight 408.08768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)-3-(furan-2-yl)-5-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 2-(4-chlorophenyl)-3-(furan-2-yl)-5-(4-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 2-(4-chlorophenyl)-3-(furan-2-yl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, F1248-0007, 2-(4-chlorophenyl)-3-(furan-2-yl)-5-(4-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 2-(4-chlorophenyl)-3-(furan-2-yl)-5-(4-methylphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
| Molecular Formula | C22H17ClN2O4 |
| Molecular Weight | 408.08768 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 63.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.08768 Da |
| Heavy Atoms | 29 |
| Complexity | 645.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Cl)C5=CC=CO5 |
| InChIKey | JCPFPKCJPGQIBH-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 2-(4-chlorophenyl)-3-(furan-2-yl)-5-(4-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chlorophenyl)-3-(furan-2-yl)-5-(4-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)-3-(furan-2-yl)-5-(4-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione 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 2-(4-chlorophenyl)-3-(furan-2-yl)-5-(4-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1005116-13-1.
The molecular formula of 2-(4-chlorophenyl)-3-(furan-2-yl)-5-(4-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C22H17ClN2O4.
The molecular weight of 2-(4-chlorophenyl)-3-(furan-2-yl)-5-(4-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 408.08768 g/mol.
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