LJJ

N-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-amine

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

Find Related PDB Entry
1 entries where LJJ is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	5

2D diagram of LJJ

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-amine
Systematic Name (OpenEye OEToolkits)	~{N}-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-amine
Formula	C₁₀ H₁₇ N₃ O
Molecular Weight	195.261
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2nc(NC1CCCCCC1)oc2C
SMILES	CACTVS	3.385	Cc1oc(NC2CCCCCC2)nn1
SMILES	OpenEye OEToolkits	2.0.6	Cc1nnc(o1)NC2CCCCCC2
Canonical SMILES	CACTVS	3.385	Cc1oc(NC2CCCCCC2)nn1
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1nnc(o1)NC2CCCCCC2
InChI	InChI	1.03	InChI=1S/C10H17N3O/c1-8-12-13-10(14-8)11-9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H,11,13)
InChIKey	InChI	1.03	BHDKFMDJCREHTJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	127015704

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.