TL;DR: 3-(3,4-Dimethoxybenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole (CAS 168165-64-8) is a chemical compound with molecular formula C19H20N2O5 and molecular weight 356.1372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole
Also Known As: 3-(3,4-dimethoxybenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole, 5-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole, 3-(3,4-Dimethoxy-benzyl)-5-(3,4-dimethoxy-phenyl)-[1,2,4]oxadiazole
| Molecular Formula | C19H20N2O5 |
| Molecular Weight | 356.1372 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 75.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 356.1372 Da |
| Heavy Atoms | 26 |
| Complexity | 427.0 |
| SMILES | COC1=C(C=C(C=C1)CC2=NOC(=N2)C3=CC(=C(C=C3)OC)OC)OC |
| InChIKey | PNDZMKGAZPUNES-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 3-(3,4-Dimethoxybenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dimethoxybenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxybenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole 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 3-(3,4-Dimethoxybenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is 168165-64-8.
The molecular formula of 3-(3,4-Dimethoxybenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is C19H20N2O5.
The molecular weight of 3-(3,4-Dimethoxybenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is 356.1372 g/mol.
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