TL;DR: 3-[(5-Methyl-1,2-oxazol-3-yl)amino]-5-(2-methylpropyl)cyclohex-2-en-1-one (CAS 1024126-30-4) is a chemical compound with molecular formula C14H20N2O2 and molecular weight 248.15248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(5-methyl-1,2-oxazol-3-yl)amino]-5-(2-methylpropyl)cyclohex-2-en-1-one
Also Known As: 3-[(5-methyl-1,2-oxazol-3-yl)amino]-5-(2-methylpropyl)cyclohex-2-en-1-one, 3-((5-METHYLISOXAZOL-3-YL)AMINO)-5-(2-METHYLPROPYL)CYCLOHEX-2-EN-1-ONE, 5-isobutyl-3-[(5-methylisoxazol-3-yl)amino]cyclohex-2-en-1-one
| Molecular Formula | C14H20N2O2 |
| Molecular Weight | 248.15248 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.15248 Da |
| Heavy Atoms | 18 |
| Complexity | 339.0 |
| SMILES | CC1=CC(=NO1)NC2=CC(=O)CC(C2)CC(C)C |
| InChIKey | ACZOKBUQMWSTCW-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 3-[(5-Methyl-1,2-oxazol-3-yl)amino]-5-(2-methylpropyl)cyclohex-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 3-[(5-Methyl-1,2-oxazol-3-yl)amino]-5-(2-methylpropyl)cyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(5-Methyl-1,2-oxazol-3-yl)amino]-5-(2-methylpropyl)cyclohex-2-en-1-one 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 3-[(5-Methyl-1,2-oxazol-3-yl)amino]-5-(2-methylpropyl)cyclohex-2-en-1-one is 1024126-30-4.
The molecular formula of 3-[(5-Methyl-1,2-oxazol-3-yl)amino]-5-(2-methylpropyl)cyclohex-2-en-1-one is C14H20N2O2.
The molecular weight of 3-[(5-Methyl-1,2-oxazol-3-yl)amino]-5-(2-methylpropyl)cyclohex-2-en-1-one is 248.15248 g/mol.
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