General Information of the Compound
Compound ID
CP0050768
Compound Name
1-(oxazol-2-yl)-7-phenylheptan-1-one
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Synonyms
1-(oxazol-2-yl)-7-phenylheptan-1-one
BDBM50204493
CHEMBL220125
SCHEMBL12403823
ZINC34803651
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Structure
Formula
C16H19NO2
Molecular Weight
257.333
Canonical SMILES
O=C(CCCCCCc1ccccc1)c1ncco1
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InChI
InChI=1S/C16H19NO2/c18-15(16-17-12-13-19-16)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,1-2,4,7-8,11H2
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InChIKey
GWMQJJIAUUBGNE-UHFFFAOYSA-N
Physicochemical Property
logP
4.0505
Rotatable Bonds
8
Heavy Atom Count
19
Polar Areas
43.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 11991808
SID: 17490950
ChEMBL ID
CHEMBL220125
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: PT04933, Diacylglycerol lipase-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(oxazol-2-yl)-7-phenylheptan-1-one )
Drug Name 1-(oxazol-2-yl)-7-phenylheptan-1-one