TL;DR: 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-diazaspiro[4.5]decane-1,3-dione (CAS 1002072-66-3) is a chemical compound with molecular formula C18H20N4O3 and molecular weight 340.15353 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
Also Known As: 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-diazaspiro[4.5]decane-1,3-dione, 3-{[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-diazaspiro[4.5]decane-2,4-dione
| Molecular Formula | C18H20N4O3 |
| Molecular Weight | 340.15353 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 88.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.15353 Da |
| Heavy Atoms | 25 |
| Complexity | 534.0 |
| SMILES | CC1=CC=CC=C1C2=NOC(=N2)CN3C(=O)C4(CCCCC4)NC3=O |
| InChIKey | YIIQPDMTZAPITJ-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-diazaspiro[4.5]decane-1,3-dione. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-diazaspiro[4.5]decane-1,3-dione. Following Lipinski's Rule of Five, 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-diazaspiro[4.5]decane-1,3-dione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-diazaspiro[4.5]decane-1,3-dione is 1002072-66-3.
The molecular formula of 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-diazaspiro[4.5]decane-1,3-dione is C18H20N4O3.
The molecular weight of 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-diazaspiro[4.5]decane-1,3-dione is 340.15353 g/mol.
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