5-Hydroxy-3-(4-pyridyl)isoxazole - CAS 89819-63-6
Catalog: |
BB039614 |
Product Name: |
5-Hydroxy-3-(4-pyridyl)isoxazole |
CAS: |
89819-63-6 |
Synonyms: |
3-pyridin-4-yl-2H-isoxazol-5-one; 3-pyridin-4-yl-2H-1,2-oxazol-5-one |
IUPAC Name: | 3-pyridin-4-yl-2H-1,2-oxazol-5-one |
Description: | 5-Hydroxy-3-(4-pyridyl)isoxazole (CAS# 89819-63-6 ) is a useful research chemical. |
Molecular Weight: | 162.15 |
Molecular Formula: | C8H6N2O2 |
Canonical SMILES: | C1=CN=CC=C1C2=CC(=O)ON2 |
InChI: | InChI=1S/C8H6N2O2/c11-8-5-7(10-12-8)6-1-3-9-4-2-6/h1-5,10H |
InChI Key: | NZGDVZVLTIYEQM-UHFFFAOYSA-N |
LogP: | 1.44220 |
Publication Number | Title | Priority Date |
CA-2446801-A1 | Isoxazolone compounds useful in treating diseases associated with unwanted cytokine activity | 20010524 |
EP-1392299-A1 | Isoxazolone compounds useful in treating diseases associated with unwanted cytokine activity | 20010524 |
WO-02094266-A1 | Isoxazolone compounds useful in treating diseases associated with unwanted cytokine activity | 20010524 |
CA-2125021-A1 | Alpha-heteroaryloxymethyl ketones as interleukin-1 beta converting enzyme inhibitors | 19930603 |
CZ-135594-A3 | Alpha-heteroaryloxymethyl ketones as enzyme-converting interleukin-1beta inhibitors | 19930603 |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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Oxazole/Thiazole
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