General Information of the Compound
Compound ID
CP0224930
Compound Name
N-benzyl-5-cyclopropyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
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Structure
Formula
C19H17N3O2
Molecular Weight
319.364
Canonical SMILES
O=C(N(Cc1ccccc1)c1ccccn1)c1cc(on1)C1CC1
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InChI
InChI=1S/C19H17N3O2/c23-19(16-12-17(24-21-16)15-9-10-15)22(18-8-4-5-11-20-18)13-14-6-2-1-3-7-14/h1-8,11-12,15H,9-10,13H2
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InChIKey
RIOGABQFLRLYLO-UHFFFAOYSA-N
Physicochemical Property
logP
3.794
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
59.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 25110212
ChEMBL ID
CHEMBL3088201
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: PT01838, Sphingosine 1-phosphate receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 6563 nM
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