KB3

(5M)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine

Created:	2023-08-10
Last modified:	2024-09-04

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3 entries where KB3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	11

2D diagram of KB3

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Chemical Component Summary
Name	(5M)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
Systematic Name (OpenEye OEToolkits)	5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
Formula	C₉ H₉ N₃ O₂
Molecular Weight	191.187
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Nc1nnc(o1)c1ccccc1OC
SMILES	CACTVS	3.385	COc1ccccc1c2oc(N)nn2
SMILES	OpenEye OEToolkits	2.0.7	COc1ccccc1c2nnc(o2)N
Canonical SMILES	CACTVS	3.385	COc1ccccc1c2oc(N)nn2
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1ccccc1c2nnc(o2)N
InChI	InChI	1.06	InChI=1S/C9H9N3O2/c1-13-7-5-3-2-4-6(7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12)
InChIKey	InChI	1.06	HTILGWBWTPTFES-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	201251

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