General Information of the Compound
Compound ID
CP0467958
Compound Name
5-(4-phenylbenzyl)oxazole-4-carboxamide, 6o
    Show/Hide
Structure
Formula
C20H19N3O3
Molecular Weight
349.39
Canonical SMILES
CNC(=O)c1ncoc1Cc1ccc(cc1)-c1cccc(NC(C)=O)c1
    Show/Hide
InChI
InChI=1S/C20H19N3O3/c1-13(24)23-17-5-3-4-16(11-17)15-8-6-14(7-9-15)10-18-19(20(25)21-2)22-12-26-18/h3-9,11-12H,10H2,1-2H3,(H,21,25)(H,23,24)
    Show/Hide
InChIKey
YSHIQHUFBZSPNT-UHFFFAOYSA-N
Physicochemical Property
logP
3.2504
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
84.23
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 24901449
ChEMBL ID
CHEMBL398063
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: PT02279, Prostacyclin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000082 HEL Homo sapiens (Human)  1
1
IC50 = 3306 nM
   TI
   LI
   LO
   TS