General Information of the Compound
Compound ID
CP0564154
Compound Name
[4-(1,3-oxazol-4-yl)phenyl]methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
    Show/Hide
Structure
Formula
C14H13N3O4
Molecular Weight
287.275
Canonical SMILES
O=C(N[C@H]1CNC1=O)OCc1ccc(cc1)-c1cocn1
    Show/Hide
InChI
InChI=1S/C14H13N3O4/c18-13-11(5-15-13)17-14(19)21-6-9-1-3-10(4-2-9)12-7-20-8-16-12/h1-4,7-8,11H,5-6H2,(H,15,18)(H,17,19)/t11-/m0/s1
    Show/Hide
InChIKey
UITOQJCEMKODPP-NSHDSACASA-N
Physicochemical Property
logP
1.0662
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
93.46
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 86281538
ChEMBL ID
CHEMBL3769409
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: PT02713, N-acylethanolamine-hydrolyzing acid amidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1880 nM
   TI
   LI
   LO
   TS