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288862-89-5 | 9-Octadecyn-1-one, 1-oxazolo[4,5-b]pyridin-2-yl-
CAS No: 288862-89-5 Catalog No: AG002WXY MDL No:
Product Description
Catalog Number:
AG002WXY
Chemical Name:
9-Octadecyn-1-one, 1-oxazolo[4,5-b]pyridin-2-yl-
CAS Number:
288862-89-5
Molecular Formula:
C24H34N2O2
Molecular Weight:
382.5390
IUPAC Name:
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)octadec-9-yn-1-one
InChI:
InChI=1S/C24H34N2O2/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/h17,19-20H,2-8,11-16,18H2,1H3
InChI Key:
DBMKKVSGBYKSFI-UHFFFAOYSA-N
SMILES:
CCCCCCCCC#CCCCCCCCC(=O)c1nc2c(o1)cccn2
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.262g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.548g/mol
Monoisotopic Mass:
382.262g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
Literature
| Title | Journal |
|---|---|
| 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 |
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