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706804-13-9 | Piperazine, 1-[[3-methyl-4-(1-methylethyl)-5-oxo-2(5H)-isoxazolyl]carbonyl]- (9CI)
CAS No: 706804-13-9 Catalog No: AG00FXM4 MDL No:
Product Description
Catalog Number:
AG00FXM4
Chemical Name:
Piperazine, 1-[[3-methyl-4-(1-methylethyl)-5-oxo-2(5H)-isoxazolyl]carbonyl]- (9CI)
CAS Number:
706804-13-9
IUPAC Name:
3-methyl-2-(piperazine-1-carbonyl)-4-propan-2-yl-1,2-oxazol-5-one
InChI:
InChI=1S/C12H19N3O3/c1-8(2)10-9(3)15(18-11(10)16)12(17)14-6-4-13-5-7-14/h8,13H,4-7H2,1-3H3
InChI Key:
KSEPRYWQZDMDAT-UHFFFAOYSA-N
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.143g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.302g/mol
Monoisotopic Mass:
253.143g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Combining ligand-based pharmacophore modeling, quantitative structure-activity relationship analysis and in silico screening for the discovery of new potent hormone sensitive lipase inhibitors. | Journal of medicinal chemistry 20081023 |
| In vitro SAR of (5-(2H)-isoxazolonyl) ureas, potent inhibitors of hormone-sensitive lipase. | Bioorganic & medicinal chemistry letters 20040621 |
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