5EA

5-{3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]PHENYL}-N-(2-MORPHOLIN-4-YLETHYL)-1,3,4-OXADIAZOL-2-AMINE

Created:	2004-02-10
Last modified:	2011-06-04

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1 entries where 5EA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	18

2D diagram of 5EA

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Chemical Component Summary
Name	5-{3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]PHENYL}-N-(2-MORPHOLIN-4-YLETHYL)-1,3,4-OXADIAZOL-2-AMINE
Systematic Name (OpenEye OEToolkits)	5-[3,4-difluoro-2-[(2-fluoro-4-iodo-phenyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
Formula	C₂₀ H₁₉ F₃ I N₅ O₂
Molecular Weight	545.297
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Ic1ccc(c(F)c1)Nc2c(F)c(F)ccc2c3nnc(o3)NCCN4CCOCC4
SMILES	CACTVS	3.341	Fc1ccc(c(Nc2ccc(I)cc2F)c1F)c3oc(NCCN4CCOCC4)nn3
SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)c3nnc(o3)NCCN4CCOCC4
Canonical SMILES	CACTVS	3.341	Fc1ccc(c(Nc2ccc(I)cc2F)c1F)c3oc(NCCN4CCOCC4)nn3
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)c3nnc(o3)NCCN4CCOCC4
InChI	InChI	1.03	InChI=1S/C20H19F3IN5O2/c21-14-3-2-13(18(17(14)23)26-16-4-1-12(24)11-15(16)22)19-27-28-20(31-19)25-5-6-29-7-9-30-10-8-29/h1-4,11,26H,5-10H2,(H,25,28)
InChIKey	InChI	1.03	LZZYEMSEMRUPIM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5287529
ChEMBL	CHEMBL485964

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