TL;DR: (1S)-1-[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine (CAS 1217780-32-9) is a chemical compound with molecular formula C11H13N3O and molecular weight 203.10587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
Also Known As: BAS 12533848, BB 0238878, (S)-1-(3-o-Tolyl-[1,2,4]oxadiazol-5-yl)-ethyla mine, (1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine, (1S)-1-[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine
| Molecular Formula | C11H13N3O |
| Molecular Weight | 203.10587 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.10587 Da |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
| SMILES | CC1=CC=CC=C1C2=NOC(=N2)[C@H](C)N |
| InChIKey | QNDHHFVHVWUZQY-QMMMGPOBSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S)-1-[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S)-1-[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine. Following Lipinski's Rule of Five, (1S)-1-[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine has 1 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 (1S)-1-[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine is 1217780-32-9.
The molecular formula of (1S)-1-[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine is C11H13N3O.
The molecular weight of (1S)-1-[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine is 203.10587 g/mol.
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