Isoxaben
2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide
| Molecular Formula | C18H24N2O4 |
|---|---|
| Molecular Weight | 332.4 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 73.6 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.1736 |
| Heavy Atoms | 24 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 82558-50-7 |
|---|---|
| SMILES | CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC |
| InChIKey | PMHURSZHKKJGBM-UHFFFAOYSA-N |
📖 Product Overview
Isoxaben (CAS: 82558-50-7) is a chemical compound with molecular formula C18H24N2O4 and molecular weight 332.4 g/mol. Its IUPAC systematic name is 2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide.
PMHURSZHKKJGBM-UHFFFAOYSA-N.
SMILES: CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC.
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