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849798-79-4 | 1-Heptanone, 1-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]-7-phenyl-
CAS No: 849798-79-4 Catalog No: AG004UHP MDL No:
Product Description
Catalog Number:
AG004UHP
Chemical Name:
1-Heptanone, 1-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]-7-phenyl-
CAS Number:
849798-79-4
Molecular Formula:
C19H20N2O3
Molecular Weight:
324.3737
IUPAC Name:
1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-7-phenylheptan-1-one
InChI:
InChI=1S/C19H20N2O3/c22-16(18-20-21-19(24-18)17-13-8-14-23-17)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2
InChI Key:
FKFVIVTXKDACMG-UHFFFAOYSA-N
SMILES:
O=C(c1nnc(o1)c1ccco1)CCCCCCc1ccccc1
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.38g/mol
Monoisotopic Mass:
324.147g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Optimization of the central heterocycle of alpha-ketoheterocycle inhibitors of fatty acid amide hydrolase. | Journal of medicinal chemistry 20080814 |
| Inhibitors of proteases and amide hydrolases that employ an alpha-ketoheterocycle as a key enabling functionality. | Bioorganic & medicinal chemistry 20080215 |
| Discovery of an exceptionally potent and selective class of fatty acid amide hydrolase inhibitors enlisting proteome-wide selectivity screening: concurrent optimization of enzyme inhibitor potency and selectivity. | Bioorganic & medicinal chemistry letters 20050301 |
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