LD7

3-ethyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

Created:	2019-02-22
Last modified:	2019-05-08

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1 entries where LD7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	11

2D diagram of LD7

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Chemical Component Summary
Name	3-ethyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
Systematic Name (OpenEye OEToolkits)	3-ethyl-~{N}-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
Formula	C₁₂ H₁₂ F N₃ O₂
Molecular Weight	249.241
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2oc(C(NCc1ccc(F)cc1)=O)nc2CC
SMILES	CACTVS	3.385	CCc1noc(n1)C(=O)NCc2ccc(F)cc2
SMILES	OpenEye OEToolkits	2.0.6	CCc1nc(on1)C(=O)NCc2ccc(cc2)F
Canonical SMILES	CACTVS	3.385	CCc1noc(n1)C(=O)NCc2ccc(F)cc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCc1nc(on1)C(=O)NCc2ccc(cc2)F
InChI	InChI	1.03	InChI=1S/C12H12FN3O2/c1-2-10-15-12(18-16-10)11(17)14-7-8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,17)
InChIKey	InChI	1.03	FNKOMHDIZVWDKR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	132349340

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