IGQ

(7~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

Created:	2022-03-18
Last modified:	2023-03-22

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1 entries where IGQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	1
Bond Count	39
Aromatic Bond Count	11

2D diagram of IGQ

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Chemical Component Summary
Name	(7~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
Systematic Name (OpenEye OEToolkits)	(7~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
Formula	C₁₆ H₁₆ N₂ O₂
Molecular Weight	268.31
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C(Nc1noc2CCCCc12)[CH]3Cc4ccccc34
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)CC2C(=O)Nc3c4c(on3)CCCC4
Canonical SMILES	CACTVS	3.385	O=C(Nc1noc2CCCCc12)[C@@H]3Cc4ccccc34
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)C[C@H]2C(=O)Nc3c4c(on3)CCCC4
InChI	InChI	1.06	InChI=1S/C16H16N2O2/c19-16(13-9-10-5-1-2-6-11(10)13)17-15-12-7-3-4-8-14(12)20-18-15/h1-2,5-6,13H,3-4,7-9H2,(H,17,18,19)/t13-/m1/s1
InChIKey	InChI	1.06	TVCMRADHQQGKOS-CYBMUJFWSA-N

Related Resource References

Resource Name	Reference
PubChem	167311781

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.