General Information of the Compound
Compound ID
CP0334414
Compound Name
N,N-dicyclohexyl-5-cyclopentyl-1,2-oxazole-3-carboxamide
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Structure
Formula
C21H32N2O2
Molecular Weight
344.499
Canonical SMILES
O=C(N(C1CCCCC1)C1CCCCC1)c1cc(on1)C1CCCC1
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InChI
InChI=1S/C21H32N2O2/c24-21(19-15-20(25-22-19)16-9-7-8-10-16)23(17-11-3-1-4-12-17)18-13-5-2-6-14-18/h15-18H,1-14H2
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InChIKey
IKKTXVDCGJIDIH-UHFFFAOYSA-N
Physicochemical Property
logP
5.4398
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
46.34
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 56955982
ChEMBL ID
CHEMBL3088204
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 = 339 nM
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