TL;DR: Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-(2-propenyl)phenoxy)pentyl)-3-methyl- (CAS 105639-11-0) is a chemical compound with molecular formula C21H26N2O3 and molecular weight 354.19434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-prop-2-enylphenoxy]pentyl]-3-methyl-1,2-oxazole
Also Known As: Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-(2-propenyl)phenoxy)pentyl)-3-methyl-, 5-[5-[2-allyl-4-(4,5-dihydrooxazol-2-yl)phenoxy]pentyl]-3-methyl-isoxazole, 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-prop-2-enylphenoxy]pentyl]-3-methyl-1,2-oxazole, Isoxazole, 5-[5-[4-(4,5-dihydro-2-oxazolyl)-2-(2-propenyl)phenoxy]pentyl]-3-methyl-, 5-{5-[4-(4,5-DIHYDRO-1,3-OXAZOL-2-YL)-2-(PROP-2-EN-1-YL)PHENOXY]PENTYL}-3-METHYL-1,2-OXAZOLE
| Molecular Formula | C21H26N2O3 |
| Molecular Weight | 354.19434 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 56.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 354.19434 Da |
| Heavy Atoms | 26 |
| Complexity | 468.0 |
| SMILES | CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2)C3=NCCO3)CC=C |
| InChIKey | QNFVCRZEOACUMQ-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-(2-propenyl)phenoxy)pentyl)-3-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.9 Ų, Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-(2-propenyl)phenoxy)pentyl)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-(2-propenyl)phenoxy)pentyl)-3-methyl- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-(2-propenyl)phenoxy)pentyl)-3-methyl- is 105639-11-0.
The molecular formula of Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-(2-propenyl)phenoxy)pentyl)-3-methyl- is C21H26N2O3.
The molecular weight of Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-(2-propenyl)phenoxy)pentyl)-3-methyl- is 354.19434 g/mol.
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