General Information of the Compound
Compound ID
CP0364637
Compound Name
N-methyl-4-phenyl-1,2-oxazol-5-amine
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Structure
Formula
C10H10N2O
Molecular Weight
174.203
Canonical SMILES
CNc1oncc1-c1ccccc1
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InChI
InChI=1S/C10H10N2O/c1-11-10-9(7-12-13-10)8-5-3-2-4-6-8/h2-7,11H,1H3
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InChIKey
BZXSEQMCSSFOIZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.3833
Rotatable Bonds
2
Heavy Atom Count
13
Polar Areas
38.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
13

"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: 118895094
ChEMBL ID
CHEMBL4162962
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 = 670 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 190 nM