L5Q

5-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide

Created:	2019-07-23
Last modified:	2020-08-26

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1 entries where L5Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	5

2D diagram of L5Q

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Chemical Component Summary
Name	5-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide
Systematic Name (OpenEye OEToolkits)	5-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide
Formula	C₇ H₇ F₃ N₂ O₂
Molecular Weight	208.138
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1onc(c1)C(=O)NCC(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(no1)C(=O)NCC(F)(F)F
Canonical SMILES	CACTVS	3.385	Cc1onc(c1)C(=O)NCC(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(no1)C(=O)NCC(F)(F)F
InChI	InChI	1.03	InChI=1S/C7H7F3N2O2/c1-4-2-5(12-14-4)6(13)11-3-7(8,9)10/h2H,3H2,1H3,(H,11,13)
InChIKey	InChI	1.03	XCSPVFNSKGQNKR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	9463852

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.