TL;DR: 3-(4-chlorophenyl)-5-(3-isopropyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole (CAS 1037176-32-1) is a chemical compound with molecular formula C14H13ClN4O and molecular weight 288.0778 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
Also Known As: 3-(4-chlorophenyl)-5-(3-isopropyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole, AB00683329-01, G192-0137, F3167-1430, 3-(4-chlorophenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
| Molecular Formula | C14H13ClN4O |
| Molecular Weight | 288.0778 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 67.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.0778 Da |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
| SMILES | CC(C)C1=CC(=NN1)C2=NC(=NO2)C3=CC=C(C=C3)Cl |
| InChIKey | YYAQVDQHWXBSIX-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 3-(4-chlorophenyl)-5-(3-isopropyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-5-(3-isopropyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-5-(3-isopropyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(4-chlorophenyl)-5-(3-isopropyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole is 1037176-32-1.
The molecular formula of 3-(4-chlorophenyl)-5-(3-isopropyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole is C14H13ClN4O.
The molecular weight of 3-(4-chlorophenyl)-5-(3-isopropyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole is 288.0778 g/mol.
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