General Information of the Compound
Compound ID
CP0233337
Compound Name
N,N-dicyclohexyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
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Structure
Formula
C19H30N2O2
Molecular Weight
318.461
Canonical SMILES
CC(C)c1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
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InChI
InChI=1S/C19H30N2O2/c1-14(2)18-13-17(20-23-18)19(22)21(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h13-16H,3-12H2,1-2H3
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InChIKey
QTYPWWSCLAZZFG-UHFFFAOYSA-N
Physicochemical Property
logP
4.9056
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
46.34
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 17253281
ChEMBL ID
CHEMBL1968913
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 = 959 nM
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