General Information of the Compound
Compound ID
CP0528366
Compound Name
(3-phenyl-1,2-oxazol-5-yl)methanol
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Structure
Formula
C10H9NO2
Molecular Weight
175.187
Canonical SMILES
OCc1cc(no1)-c1ccccc1
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InChI
InChI=1S/C10H9NO2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h1-6,12H,7H2
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InChIKey
CITYOBPAADIHAD-UHFFFAOYSA-N
CAS
90924-12-2
Physicochemical Property
logP
1.8339
Rotatable Bonds
2
Heavy Atom Count
13
Polar Areas
46.26
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: 2763417
SID: 15487141
ChEMBL ID
CHEMBL140669
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: PT05574, Palmitoleoyl-protein carboxylesterase NOTUM
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 19000 nM
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