IBK

N-isobutyl-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide

Created:	2012-08-31
Last modified:	2014-09-05

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1 entries where IBK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	10

2D diagram of IBK

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Chemical Component Summary
Name	N-isobutyl-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide
Systematic Name (OpenEye OEToolkits)	N-(2-methylpropyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]ethanamide
Formula	C₁₄ H₁₈ N₂ O₃ S
Molecular Weight	294.369
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCC(C)C)COCc2noc(c1sccc1)c2
SMILES	CACTVS	3.385	CC(C)CNC(=O)COCc1cc(on1)c2sccc2
SMILES	OpenEye OEToolkits	1.9.2	CC(C)CNC(=O)COCc1cc(on1)c2cccs2
Canonical SMILES	CACTVS	3.385	CC(C)CNC(=O)COCc1cc(on1)c2sccc2
Canonical SMILES	OpenEye OEToolkits	1.9.2	CC(C)CNC(=O)COCc1cc(on1)c2cccs2
InChI	InChI	1.03	InChI=1S/C14H18N2O3S/c1-10(2)7-15-14(17)9-18-8-11-6-12(19-16-11)13-4-3-5-20-13/h3-6,10H,7-9H2,1-2H3,(H,15,17)
InChIKey	InChI	1.03	UJFGIBAYRIRNOV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	20906329

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