Halfordine
3-methyl-1-[4-(2-pyridin-3-yl-1,3-oxazol-4-yl)phenoxy]butane-2,3-diol
Also Known As: Halfordine|Halfordine[alkaloid]|2,3-Butanediol, 3-methyl-1-[4-[2-(3-pyridinyl)-4-oxazolyl]phenoxy]-|3-METHYL-1-{4-[2-(PYRIDIN-3-YL)-1,3-OXAZOL-4-YL]PHENOXY}BUTANE-2,3-DIOL|2,3-Butanediol, 3-methyl-1-(4-(2-(3-pyridinyl)-4-oxazolyl)phenoxy)-|3-methyl-1-[4-(2-pyridin-3-yl-1,3-oxazol-4-yl)phenoxy]butane-2,3-diol|3-Methyl-1-[4-[2-(3-pyridinyl)oxazol-4-yl]phenoxy]-2,3-butanediol|3-Methyl-1-(4-[2-(3-pyridinyl)-1,3-oxazol-4-yl]phenoxy)-2,3-butanediol #
| Molecular Formula | C19H20N2O4 |
|---|---|
| Molecular Weight | 340.1423 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.1423 |
| Monoisotopic Mass | 340.1423 |
| Heavy Atoms | 25 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 21059-65-4 |
|---|---|
| SMILES | CC(C)(C(COC1=CC=C(C=C1)C2=COC(=N2)C3=CN=CC=C3)O)O |
| InChIKey | USNQTVHRQCVEFD-UHFFFAOYSA-N |
Product Overview
Halfordine (CAS 21059-65-4), with molecular formula C19H20N2O4 and molecular weight 340.1423 g/mol. IUPAC: 3-methyl-1-[4-(2-pyridin-3-yl-1,3-oxazol-4-yl)phenoxy]butane-2,3-diol.
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