JGA

N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea

Created:	2018-09-10
Last modified:	2018-10-10

Find Related PDB Entry
5 entries where JGA is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	5

2D diagram of JGA

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea
Systematic Name (OpenEye OEToolkits)	1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)urea
Formula	C₇ H₁₁ N₃ O₂
Molecular Weight	169.181
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCNC(=O)Nc1noc(c1)C
SMILES	CACTVS	3.385	CCNC(=O)Nc1cc(C)on1
SMILES	OpenEye OEToolkits	2.0.6	CCNC(=O)Nc1cc(on1)C
Canonical SMILES	CACTVS	3.385	CCNC(=O)Nc1cc(C)on1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCNC(=O)Nc1cc(on1)C
InChI	InChI	1.03	InChI=1S/C7H11N3O2/c1-3-8-7(11)9-6-4-5(2)12-10-6/h4H,3H2,1-2H3,(H2,8,9,10,11)
InChIKey	InChI	1.03	OLTOJZGRSVNYRB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1526575

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.