General Information of the Compound
Compound ID
CP0538951
Compound Name
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
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Structure
Formula
C10H17N3O2
Molecular Weight
211.265
Canonical SMILES
CC(C)c1noc(n1)N1CCC(O)CC1
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InChI
InChI=1S/C10H17N3O2/c1-7(2)9-11-10(15-12-9)13-5-3-8(14)4-6-13/h7-8,14H,3-6H2,1-2H3
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InChIKey
SNAOGTUJDXPNEK-UHFFFAOYSA-N
Physicochemical Property
logP
1.1541
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
62.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 21897744
SID: 163539919
ChEMBL ID
CHEMBL2177769
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: PT02455, Glucose-dependent insulinotropic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 50.12 nM
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