TL;DR: Oxazole, 2-((butylamino)methyl)-4,5-diphenyl-, monohydrochloride (CAS 162558-26-1) is a chemical compound with molecular formula C20H23ClN2O and molecular weight 342.1499 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]butan-1-amine;hydrochloride
Also Known As: 2-((Butylamino)methyl)-4,5-diphenyloxazole monohydrochloride, Oxazole, 2-((butylamino)methyl)-4,5-diphenyl-, monohydrochloride, 2-n-butylaminomethyl-4,5-diphenyloxazole hydrochloride, n-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]butan-1-amine hydrochloride(1:1), N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]butan-1-amine hydrochloride
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C20H23ClN2O |
| Molecular Weight | 342.1499 g/mol |
| XLogP | 5.3201 |
| Topological Polar Surface Area (TPSA) | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 342.1499 Da |
| Heavy Atoms | 24 |
| Complexity | 324.0 |
| SMILES | CCCCNCC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3.Cl |
| InChIKey | HRKXWMXCLGYYJY-UHFFFAOYSA-N |
The XLogP value of 5.3201 indicates that Oxazole, 2-((butylamino)methyl)-4,5-diphenyl-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.1 Ų, Oxazole, 2-((butylamino)methyl)-4,5-diphenyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxazole, 2-((butylamino)methyl)-4,5-diphenyl-, monohydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Oxazole, 2-((butylamino)methyl)-4,5-diphenyl-, monohydrochloride is 162558-26-1.
The molecular formula of Oxazole, 2-((butylamino)methyl)-4,5-diphenyl-, monohydrochloride is C20H23ClN2O.
The molecular weight of Oxazole, 2-((butylamino)methyl)-4,5-diphenyl-, monohydrochloride is 342.1499 g/mol.
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