TL;DR: Benzoic acid, 5-(4,5-dihydro-2-oxazolyl)-2-((5-(3-methyl-5-isoxazolyl)pentyl)oxy)- (CAS 105639-16-5) is a chemical compound with molecular formula C19H22N2O5 and molecular weight 358.15286 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoic acid
Also Known As: Benzoic acid, 5-(4,5-dihydro-2-oxazolyl)-2-((5-(3-methyl-5-isoxazolyl)pentyl)oxy)-, Benzoic acid,5-(4,5-dihydro-2-oxazolyl)-2-[[5-(3-methyl-5-isoxazolyl)pentyl]oxy]-, 5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoic acid, 5-(4,5-dihydrooxazol-2-yl)-2-[5-(3-methylisoxazol-5-yl)pentoxy]benzoic acid, 5-{5-[2-carboxy-4-(4,5-dihydro-2-oxazolyl)phenoxy]pentyl}-3-methylisoxazole
| Molecular Formula | C19H22N2O5 |
| Molecular Weight | 358.15286 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 94.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 358.15286 Da |
| Heavy Atoms | 26 |
| Complexity | 498.0 |
| SMILES | CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2)C3=NCCO3)C(=O)O |
| InChIKey | KWADUSKGDDXVGN-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 5-(4,5-dihydro-2-oxazolyl)-2-((5-(3-methyl-5-isoxazolyl)pentyl)oxy)-. The TPSA of 94.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 5-(4,5-dihydro-2-oxazolyl)-2-((5-(3-methyl-5-isoxazolyl)pentyl)oxy)-. Following Lipinski's Rule of Five, Benzoic acid, 5-(4,5-dihydro-2-oxazolyl)-2-((5-(3-methyl-5-isoxazolyl)pentyl)oxy)- has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzoic acid, 5-(4,5-dihydro-2-oxazolyl)-2-((5-(3-methyl-5-isoxazolyl)pentyl)oxy)- is 105639-16-5.
The molecular formula of Benzoic acid, 5-(4,5-dihydro-2-oxazolyl)-2-((5-(3-methyl-5-isoxazolyl)pentyl)oxy)- is C19H22N2O5.
The molecular weight of Benzoic acid, 5-(4,5-dihydro-2-oxazolyl)-2-((5-(3-methyl-5-isoxazolyl)pentyl)oxy)- is 358.15286 g/mol.
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