RDJ

N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide

Created:	2020-02-10
Last modified:	2020-06-03

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3 entries where RDJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	5

2D diagram of RDJ

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Chemical Component Summary
Name	N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
Systematic Name (OpenEye OEToolkits)	~{N}-ethyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamide
Formula	C₉ H₁₅ N₃ O₂ S
Molecular Weight	229.299
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(SCC(=O)NCC)nnc(o1)C(C)C
SMILES	CACTVS	3.385	CCNC(=O)CSc1oc(nn1)C(C)C
SMILES	OpenEye OEToolkits	2.0.6	CCNC(=O)CSc1nnc(o1)C(C)C
Canonical SMILES	CACTVS	3.385	CCNC(=O)CSc1oc(nn1)C(C)C
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCNC(=O)CSc1nnc(o1)C(C)C
InChI	InChI	1.03	InChI=1S/C9H15N3O2S/c1-4-10-7(13)5-15-9-12-11-8(14-9)6(2)3/h6H,4-5H2,1-3H3,(H,10,13)
InChIKey	InChI	1.03	DWIDCIXKOJCTSJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	4612970

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.