General Information of the Compound
Compound ID
CP0432434
Compound Name
3-[4-[(5-phenyl-1,3-oxazol-2-yl)methoxy]phenyl]propanoic acid
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Structure
Formula
C19H17NO4
Molecular Weight
323.348
Canonical SMILES
OC(=O)CCc1ccc(OCc2ncc(o2)-c2ccccc2)cc1
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InChI
InChI=1S/C19H17NO4/c21-19(22)11-8-14-6-9-16(10-7-14)23-13-18-20-12-17(24-18)15-4-2-1-3-5-15/h1-7,9-10,12H,8,11,13H2,(H,21,22)
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InChIKey
ASGGTPSYLCAVFD-UHFFFAOYSA-N
Physicochemical Property
logP
3.9378
Rotatable Bonds
7
Heavy Atom Count
24
Polar Areas
72.56
Hydrogen Bond Donor Count
1
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: 86803191
ChEMBL ID
CHEMBL3600998
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 = 1600 nM
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