General Information of the Compound
Compound ID
CP0472113
Compound Name
2-oxo-N-(2-phenylethyl)-1,3-benzoxazole-3-carboxamide
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Structure
Formula
C16H14N2O3
Molecular Weight
282.299
Canonical SMILES
O=C(NCCc1ccccc1)n1c2ccccc2oc1=O
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InChI
InChI=1S/C16H14N2O3/c19-15(17-11-10-12-6-2-1-3-7-12)18-13-8-4-5-9-14(13)21-16(18)20/h1-9H,10-11H2,(H,17,19)
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InChIKey
XRODUAPZODEFNG-UHFFFAOYSA-N
Physicochemical Property
logP
2.3949
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
64.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 23769487
ChEMBL ID
CHEMBL3742264
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: PT04305, Acid ceramidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 121 nM
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