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288862-58-8 | 9-Octadecen-1-one, 1-oxazolo[4,5-b]pyridin-2-yl-, (9Z)-
CAS No: 288862-58-8 Catalog No: AG002WY0 MDL No:MFCD05865099
Product Description
Catalog Number:
AG002WY0
Chemical Name:
9-Octadecen-1-one, 1-oxazolo[4,5-b]pyridin-2-yl-, (9Z)-
CAS Number:
288862-58-8
Molecular Formula:
C24H36N2O2
Molecular Weight:
384.5548
MDL Number:
MFCD05865099
IUPAC Name:
(Z)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)octadec-9-en-1-one
InChI:
InChI=1S/C24H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(27)24-26-23-22(28-24)19-17-20-25-23/h9-10,17,19-20H,2-8,11-16,18H2,1H3/b10-9-
InChI Key:
YMLAXVVBJJHSKD-KTKRTIGZSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCC(=O)c1nc2c(o1)cccn2
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
384.278g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.564g/mol
Monoisotopic Mass:
384.278g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
Literature
| Title | Journal |
|---|---|
| The discovery and development of inhibitors of fatty acid amide hydrolase (FAAH). | Bioorganic & medicinal chemistry letters 20110815 |
| Inhibitors of proteases and amide hydrolases that employ an alpha-ketoheterocycle as a key enabling functionality. | Bioorganic & medicinal chemistry 20080215 |
| The endocannabinoid system: drug targets, lead compounds, and potential therapeutic applications. | Journal of medicinal chemistry 20050811 |
| Discovery of a potent, selective, and efficacious class of reversible alpha-ketoheterocycle inhibitors of fatty acid amide hydrolase effective as analgesics. | Journal of medicinal chemistry 20050324 |
| 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 |
| alpha-Keto heterocycle inhibitors of fatty acid amide hydrolase: carbonyl group modification and alpha-substitution. | Bioorganic & medicinal chemistry letters 20010618 |
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