General Information of the Compound
Compound ID
CP0223924
Compound Name
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pentan-1-one
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Synonyms
1-(oxazolo[4,5-b]pyridin-2-yl)-1-oxo-pentane
1-(oxazolo[4,5-b]pyridin-2-yl)pentan-1-one
288862-78-2
BDBM50350542
CHEMBL402740
SCHEMBL3961770
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Structure
Formula
C11H12N2O2
Molecular Weight
204.229
Canonical SMILES
CCCCC(=O)c1nc2ncccc2o1
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InChI
InChI=1S/C11H12N2O2/c1-2-3-5-8(14)11-13-10-9(15-11)6-4-7-12-10/h4,6-7H,2-3,5H2,1H3
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InChIKey
FBFLUTUPSIYUIG-UHFFFAOYSA-N
Physicochemical Property
logP
2.5957
Rotatable Bonds
4
Heavy Atom Count
15
Polar Areas
55.99
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
15

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 22486203
ChEMBL ID
CHEMBL402740
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04933, Diacylglycerol lipase-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(oxazolo[4,5-b]pyridin-2-yl)pentan-1-one )
Drug Name 1-(oxazolo[4,5-b]pyridin-2-yl)pentan-1-one