General Information of the Compound
Compound ID
CP0432677
Compound Name
N-(2-methylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
    Show/Hide
Structure
Formula
C14H16N2O2
Molecular Weight
244.294
Canonical SMILES
CC(C)c1cc(no1)C(=O)Nc1ccccc1C
    Show/Hide
InChI
InChI=1S/C14H16N2O2/c1-9(2)13-8-12(16-18-13)14(17)15-11-7-5-4-6-10(11)3/h4-9H,1-3H3,(H,15,17)
    Show/Hide
InChIKey
OHOHSIIKZXEKCJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.35872
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
55.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
18

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 110856568
ChEMBL ID
CHEMBL4079330
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: PT04513, Survival motor neuron protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 5400 nM
   TI
   LI
   LO
   TS