General Information of the Compound
Compound ID
CP0262673
Compound Name
N,N-dicyclohexyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
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Structure
Formula
C23H30N2O3
Molecular Weight
382.504
Canonical SMILES
COc1ccc(cc1)-c1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
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InChI
InChI=1S/C23H30N2O3/c1-27-20-14-12-17(13-15-20)22-16-21(24-28-22)23(26)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h12-16,18-19H,2-11H2,1H3
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InChIKey
RFMKOOPRTSYQNO-UHFFFAOYSA-N
Physicochemical Property
logP
5.4578
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
55.57
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 25110484
ChEMBL ID
CHEMBL1984536
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 = 323 nM
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