TQC

(3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole

Created:	2023-08-28
Last modified:	2023-11-29

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2 entries where TQC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	10

2D diagram of TQC

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Chemical Component Summary
Name	(3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole
Systematic Name (OpenEye OEToolkits)	5-cyclobutyl-3-(1-methylimidazol-2-yl)-1,2,4-oxadiazole
Formula	C₁₀ H₁₂ N₄ O
Molecular Weight	204.228
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cn1ccnc1c1nc(on1)C1CCC1
SMILES	CACTVS	3.385	Cn1ccnc1c2noc(n2)C3CCC3
SMILES	OpenEye OEToolkits	2.0.7	Cn1ccnc1c2nc(on2)C3CCC3
Canonical SMILES	CACTVS	3.385	Cn1ccnc1c2noc(n2)C3CCC3
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cn1ccnc1c2nc(on2)C3CCC3
InChI	InChI	1.06	InChI=1S/C10H12N4O/c1-14-6-5-11-9(14)8-12-10(15-13-8)7-3-2-4-7/h5-7H,2-4H2,1H3
InChIKey	InChI	1.06	OPUWQKONOBGDBJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	100691564

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