General Information of the Compound
Compound ID
CP0386447
Compound Name
5-hexyl-3-(4-methoxyphenyl)oxazolidin-2-one
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Structure
Formula
C16H23NO3
Molecular Weight
277.364
Canonical SMILES
CCCCCCC1CN(C(=O)O1)c1ccc(OC)cc1
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InChI
InChI=1S/C16H23NO3/c1-3-4-5-6-7-15-12-17(16(18)20-15)13-8-10-14(19-2)11-9-13/h8-11,15H,3-7,12H2,1-2H3
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InChIKey
OUPFXLMHHSZWST-UHFFFAOYSA-N
Physicochemical Property
logP
3.9908
Rotatable Bonds
7
Heavy Atom Count
20
Polar Areas
38.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 44155423
SID: 85155275
ChEMBL ID
CHEMBL1095750
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 = 1170 nM
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