TL;DR: N-[(3-Phenyl-1,2,4-oxadiazol-5-YL)methyl]-2-propen-1-amine hydrochloride (CAS 1049696-56-1) is a chemical compound with molecular formula C12H14ClN3O and molecular weight 251.08253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine;hydrochloride
Also Known As: N-[(3-PHENYL-1,2,4-OXADIAZOL-5-YL)METHYL]-2-PROPEN-1-AMINE HYDROCHLORIDE, N-((3-Phenyl-1,2,4-oxadiazol-5-yl)methyl)prop-2-en-1-amine hydrochloride, N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine;hydrochloride, N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine Hydrochloride, [(3-PHENYL-1,2,4-OXADIAZOL-5-YL)METHYL](PROP-2-EN-1-YL)AMINE HYDROCHLORIDE
| Molecular Formula | C12H14ClN3O |
| Molecular Weight | 251.08253 g/mol |
| XLogP | 2.434 |
| Topological Polar Surface Area (TPSA) | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.08253 Da |
| Heavy Atoms | 17 |
| Complexity | 216.0 |
| SMILES | C=CCNCC1=NC(=NO1)C2=CC=CC=C2.Cl |
| InChIKey | SYBJVAKQZJEXFJ-UHFFFAOYSA-N |
The XLogP value of 2.434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(3-Phenyl-1,2,4-oxadiazol-5-YL)methyl]-2-propen-1-amine hydrochloride. With a topological polar surface area (TPSA) of 51.0 Ų, N-[(3-Phenyl-1,2,4-oxadiazol-5-YL)methyl]-2-propen-1-amine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(3-Phenyl-1,2,4-oxadiazol-5-YL)methyl]-2-propen-1-amine hydrochloride has 2 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 N-[(3-Phenyl-1,2,4-oxadiazol-5-YL)methyl]-2-propen-1-amine hydrochloride is 1049696-56-1.
The molecular formula of N-[(3-Phenyl-1,2,4-oxadiazol-5-YL)methyl]-2-propen-1-amine hydrochloride is C12H14ClN3O.
The molecular weight of N-[(3-Phenyl-1,2,4-oxadiazol-5-YL)methyl]-2-propen-1-amine hydrochloride is 251.08253 g/mol.
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