TL;DR: 1,3,4-Oxadiazol-2-amine, 5-((3-pentadecylphenoxy)methyl)- (CAS 117554-46-8) is a chemical compound with molecular formula C24H39N3O2 and molecular weight 401.30423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(3-pentadecylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
Also Known As: 1,3,4-Oxadiazol-2-amine, 5-((3-pentadecylphenoxy)methyl)-, 2-Amino-5-(3'-pentadecylphenoxymethyl)-1,3,4-oxadiazole, 5-((3-Pentadecylphenoxy)methyl)-1,3,4-oxadiazol-2-amine, 5-[(3-pentadecylphenoxy)methyl]-1,3,4-oxadiazol-2-amine, BRN 4206205
| Molecular Formula | C24H39N3O2 |
| Molecular Weight | 401.30423 g/mol |
| XLogP | 8.7 |
| Topological Polar Surface Area (TPSA) | 74.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 17 |
| Exact Mass | 401.30423 Da |
| Heavy Atoms | 29 |
| Complexity | 383.0 |
| SMILES | CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCC2=NN=C(O2)N |
| InChIKey | WKUOUUUSGAYKJP-UHFFFAOYSA-N |
The XLogP value of 8.7 indicates that 1,3,4-Oxadiazol-2-amine, 5-((3-pentadecylphenoxy)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Oxadiazol-2-amine, 5-((3-pentadecylphenoxy)methyl)-. Following Lipinski's Rule of Five, 1,3,4-Oxadiazol-2-amine, 5-((3-pentadecylphenoxy)methyl)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,3,4-Oxadiazol-2-amine, 5-((3-pentadecylphenoxy)methyl)- is 117554-46-8.
The molecular formula of 1,3,4-Oxadiazol-2-amine, 5-((3-pentadecylphenoxy)methyl)- is C24H39N3O2.
The molecular weight of 1,3,4-Oxadiazol-2-amine, 5-((3-pentadecylphenoxy)methyl)- is 401.30423 g/mol.
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