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82357-80-0 | 5-Isoxazolol
CAS No: 82357-80-0 Catalog No: AG008KG9 MDL No:
Product Description
Catalog Number:
AG008KG9
Chemical Name:
5-Isoxazolol
CAS Number:
82357-80-0
Molecular Formula:
C3H3NO2
Molecular Weight:
85.0614
IUPAC Name:
2H-1,2-oxazol-5-one
InChI:
InChI=1S/C3H3NO2/c5-3-1-2-4-6-3/h1-2,4H
InChI Key:
HZVPJXOQDCOJRJ-UHFFFAOYSA-N
SMILES:
Oc1ccno1
Properties
Complexity:
97
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
85.016g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
85.062g/mol
Monoisotopic Mass:
85.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Identification of novel small molecule inhibitors of 4-diphosphocytidyl-2-C-methyl-D-erythritol (CDP-ME) kinase of Gram-negative bacteria. | Bioorganic & medicinal chemistry 20111001 |
| Isoxazol-5(4H)one derivatives as PTP1B inhibitors showing an anti-obesity effect. | Chemistry, an Asian journal 20110801 |
| Click-generated triazole ureas as ultrapotent in vivo-active serine hydrolase inhibitors. | Nature chemical biology 20110701 |
| (Z)-4-[4-(Dimethyl-amino)benzyl-idene]-3-methyl-isoxazol-5(4H)-one. | Acta crystallographica. Section E, Structure reports online 20091201 |
| Facile synthesis of active antitubercular, cytotoxic and antibacterial agents: a Michael addition approach. | European journal of medicinal chemistry 20051101 |
| In vitro SAR of (5-(2H)-isoxazolonyl) ureas, potent inhibitors of hormone-sensitive lipase. | Bioorganic & medicinal chemistry letters 20040621 |
| Enzymatic synthesis of two isoxazolylalanine isomers by cysteine synthases in Lathyrus species. | Biological & pharmaceutical bulletin 19960901 |
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