TL;DR: 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 1022777-73-6) is a chemical compound with molecular formula C25H23N3O5 and molecular weight 445.16376 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Also Known As: 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 2-(3-(3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)phenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
| Molecular Formula | C25H23N3O5 |
| Molecular Weight | 445.16376 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.16376 Da |
| Heavy Atoms | 33 |
| Complexity | 751.0 |
| SMILES | COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC(=CC=C3)N4C(=O)C5C6CCC(C6)C5C4=O)OC |
| InChIKey | PPTLNUMESRNWKF-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 1022777-73-6.
The molecular formula of 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is C25H23N3O5.
The molecular weight of 2-{3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 445.16376 g/mol.
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