General Information of the Compound
Compound ID
CP0473350
Compound Name
2-[2-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methoxy]phenoxy]acetic acid
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Structure
Formula
C19H17NO5
Molecular Weight
339.347
Canonical SMILES
Cc1cc(OCc2ncc(o2)-c2ccccc2)ccc1OCC(O)=O
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InChI
InChI=1S/C19H17NO5/c1-13-9-15(7-8-16(13)24-12-19(21)22)23-11-18-20-10-17(25-18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,21,22)
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InChIKey
CADBJSZTACAEKU-UHFFFAOYSA-N
Physicochemical Property
logP
3.69242
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
81.79
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 155545207
ChEMBL ID
CHEMBL4565807
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: PT02793, Free fatty acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS