TL;DR: 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide (CAS 876713-98-3) is a chemical compound with molecular formula C16H21N3O4 and molecular weight 319.1532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
Also Known As: BAS 10135131, 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide, 3-(3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)-N-propylpropanamide, 3-[3-(3,4-dimethoxyphenyl)(1,2,4-oxadiazol-5-yl)]-N-propylpropanamide, 3-[3-(3,4-Dimethoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-N-propyl-propionamide
| Molecular Formula | C16H21N3O4 |
| Molecular Weight | 319.1532 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 86.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 319.1532 Da |
| Heavy Atoms | 23 |
| Complexity | 369.0 |
| SMILES | CCCNC(=O)CCC1=NC(=NO1)C2=CC(=C(C=C2)OC)OC |
| InChIKey | MBGQWRBECYHGIR-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide. The TPSA of 86.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide. Following Lipinski's Rule of Five, 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide is 876713-98-3.
The molecular formula of 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide is C16H21N3O4.
The molecular weight of 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide is 319.1532 g/mol.
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