General Information of the Compound
Compound ID
CP0487690
Compound Name
5-((4-aminophenoxy)methyl)-3-phenyloxazolidin-2-one
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Structure
Formula
C16H16N2O3
Molecular Weight
284.315
Canonical SMILES
Nc1ccc(OCC2CN(C(=O)O2)c2ccccc2)cc1
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InChI
InChI=1S/C16H16N2O3/c17-12-6-8-14(9-7-12)20-11-15-10-18(16(19)21-15)13-4-2-1-3-5-13/h1-9,15H,10-11,17H2
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InChIKey
KBDYFHAVKBISDZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.673
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
64.79
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 18997192
ChEMBL ID
CHEMBL1098335
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: PT01748, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 30000 nM
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