General Information of the Compound
Compound ID
CP0354580
Compound Name
4-phenyl-1,2-oxazole-5-carboxamide
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Structure
Formula
C10H8N2O2
Molecular Weight
188.186
Canonical SMILES
NC(=O)c1oncc1-c1ccccc1
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InChI
InChI=1S/C10H8N2O2/c11-10(13)9-8(6-12-14-9)7-4-2-1-3-5-7/h1-6H,(H2,11,13)
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InChIKey
ALMMAJKYQVWJLB-UHFFFAOYSA-N
Physicochemical Property
logP
1.4405
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
69.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 145957647
ChEMBL ID
CHEMBL4160459
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: PT02896, Tryptophan 2,3-dioxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000518 SW48 Homo sapiens (Human)  1
1
EC50 > 25000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 25000 nM