General Information of the Compound
Compound ID
CP0461853
Compound Name
N-phenyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
    Show/Hide
Structure
Formula
C13H14N2O2
Molecular Weight
230.267
Canonical SMILES
CC(C)c1cc(no1)C(=O)Nc1ccccc1
    Show/Hide
InChI
InChI=1S/C13H14N2O2/c1-9(2)12-8-11(15-17-12)13(16)14-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,16)
    Show/Hide
InChIKey
XSXTYMBXLWLDDD-UHFFFAOYSA-N
Physicochemical Property
logP
3.0503
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
55.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 53016936
ChEMBL ID
CHEMBL4068807
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 = 280 nM
   TI
   LI
   LO
   TS