K6U

(2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole

Created:	2023-08-10
Last modified:	2024-04-24

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3 entries where K6U is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	11

2D diagram of K6U

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Chemical Component Summary
Name	(2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole
Systematic Name (OpenEye OEToolkits)	2-(2-methoxyphenyl)-1,3,4-oxadiazole
Formula	C₉ H₈ N₂ O₂
Molecular Weight	176.172
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1ccccc1c1nnco1
SMILES	CACTVS	3.385	COc1ccccc1c2ocnn2
SMILES	OpenEye OEToolkits	2.0.7	COc1ccccc1c2nnco2
Canonical SMILES	CACTVS	3.385	COc1ccccc1c2ocnn2
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1ccccc1c2nnco2
InChI	InChI	1.06	InChI=1S/C9H8N2O2/c1-12-8-5-3-2-4-7(8)9-11-10-6-13-9/h2-6H,1H3
InChIKey	InChI	1.06	CMZBFAJLBDAJMC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	17608697

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.