TL;DR: 5,5'-(1,3-Propanediyl)bisisoxozole (CAS 37704-51-1) is a chemical compound with molecular formula C9H10N2O2 and molecular weight 178.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[3-(1,2-oxazol-5-yl)propyl]-1,2-oxazole
Also Known As: 5,5'-(1,3-PROPANEDIYL)BISISOXOZOLE, 1,3-di(isoxazol-5-yl)propane, Isoxazole, 5,5'-(1,3-propanediyl)bis-, 5,5 -(1,3-Propanediyl)bisisoxazole, 5-[3-(1,2-oxazol-5-yl)propyl]-1,2-oxazole
| Molecular Formula | C9H10N2O2 |
| Molecular Weight | 178.07423 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.07423 Da |
| Heavy Atoms | 13 |
| Complexity | 139.0 |
| SMILES | C1=C(ON=C1)CCCC2=CC=NO2 |
| InChIKey | GKAZHGXJGCPBJP-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5'-(1,3-Propanediyl)bisisoxozole. With a topological polar surface area (TPSA) of 52.1 Ų, 5,5'-(1,3-Propanediyl)bisisoxozole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5'-(1,3-Propanediyl)bisisoxozole has 0 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 5,5'-(1,3-Propanediyl)bisisoxozole is 37704-51-1.
The molecular formula of 5,5'-(1,3-Propanediyl)bisisoxozole is C9H10N2O2.
The molecular weight of 5,5'-(1,3-Propanediyl)bisisoxozole is 178.07423 g/mol.
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