TL;DR: 3-(2,3-dimethoxyphenyl)-5-(3-isopropyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole (CAS 1037176-34-3) is a chemical compound with molecular formula C16H18N4O3 and molecular weight 314.13788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,3-dimethoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
Also Known As: 3-(2,3-dimethoxyphenyl)-5-(3-isopropyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole, AB00683333-01, G192-0148, 3-(2,3-dimethoxyphenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole, F3167-1436
| Molecular Formula | C16H18N4O3 |
| Molecular Weight | 314.13788 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 86.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.13788 Da |
| Heavy Atoms | 23 |
| Complexity | 384.0 |
| SMILES | CC(C)C1=CC(=NN1)C2=NC(=NO2)C3=C(C(=CC=C3)OC)OC |
| InChIKey | HLZHXQVZGHUYGT-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,3-dimethoxyphenyl)-5-(3-isopropyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,3-dimethoxyphenyl)-5-(3-isopropyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 3-(2,3-dimethoxyphenyl)-5-(3-isopropyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole 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-(2,3-dimethoxyphenyl)-5-(3-isopropyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole is 1037176-34-3.
The molecular formula of 3-(2,3-dimethoxyphenyl)-5-(3-isopropyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole is C16H18N4O3.
The molecular weight of 3-(2,3-dimethoxyphenyl)-5-(3-isopropyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole is 314.13788 g/mol.
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