L 611744
3-(1-methyl-5-nitroimidazol-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,2]oxazole
Also Known As: L 611744|L-611744|L611,744|3a,4,5,6,7,8,9,9a-Octahydro-3-(1-methyl-5-nitroimidazol-2-yl)cycloocta(d)isoxazole|3-(1-methyl-5-nitroimidazol-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,2]oxazole|3-(1-methyl-5-nitro-1H-imidazol-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d]isoxazole|3-(1-methyl-5-nitro-1H-imidazol-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,2]oxazole|Cyclooct(d)isoxazole, 3a,4,5,6,7,8,9,9a-octahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-
| Molecular Formula | C13H18N4O3 |
|---|---|
| Molecular Weight | 278.13788 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.13788 |
| Monoisotopic Mass | 278.13788 |
| Heavy Atoms | 20 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 58211-94-2 |
|---|---|
| SMILES | CN1C(=CN=C1C2=NOC3C2CCCCCC3)[N+](=O)[O-] |
| InChIKey | BDOFOUFSNOJTBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
L 611744 (CAS 58211-94-2), with molecular formula C13H18N4O3 and molecular weight 278.13788 g/mol. IUPAC: 3-(1-methyl-5-nitroimidazol-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,2]oxazole.
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