General Information of the Compound
Compound ID
CP0360388
Compound Name
4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzamide
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Structure
Formula
C16H11ClN2O2
Molecular Weight
298.729
Canonical SMILES
NC(=O)c1ccc(cc1)-c1ncc(o1)-c1ccc(Cl)cc1
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InChI
InChI=1S/C16H11ClN2O2/c17-13-7-5-10(6-8-13)14-9-19-16(21-14)12-3-1-11(2-4-12)15(18)20/h1-9H,(H2,18,20)
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InChIKey
DXIZWXGKFCRUNM-UHFFFAOYSA-N
Physicochemical Property
logP
3.7609
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
69.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 13626914
ChEMBL ID
CHEMBL3752536
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: PT01532, Mitogen-activated protein kinase kinase kinase kinase 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000362 GripTite 293 MSR Homo sapiens (Human)  1
1
IC50 = 6300 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 94 nM
2 IC50 > 10000 nM