A1BQ2

1-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-1H-indazole-3-carboxamide

Created:	2025-01-14
Last modified:	2025-02-12

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1 entries where A1BQ2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	15

2D diagram of A1BQ2

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Chemical Component Summary
Name	1-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-1H-indazole-3-carboxamide
Systematic Name (OpenEye OEToolkits)	1-methyl-~{N}-[2-(1,3-oxazol-4-yl)ethyl]indazole-3-carboxamide
Formula	C₁₄ H₁₄ N₄ O₂
Molecular Weight	270.287
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cn1nc(C(=O)NCCc2cocn2)c2ccccc21
SMILES	CACTVS	3.385	Cn1nc(C(=O)NCCc2cocn2)c3ccccc13
SMILES	OpenEye OEToolkits	3.1.0.0	Cn1c2ccccc2c(n1)C(=O)NCCc3cocn3
Canonical SMILES	CACTVS	3.385	Cn1nc(C(=O)NCCc2cocn2)c3ccccc13
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	Cn1c2ccccc2c(n1)C(=O)NCCc3cocn3
InChI	InChI	1.06	InChI=1S/C14H14N4O2/c1-18-12-5-3-2-4-11(12)13(17-18)14(19)15-7-6-10-8-20-9-16-10/h2-5,8-9H,6-7H2,1H3,(H,15,19)
InChIKey	InChI	1.06	ONGQCMNCDUWDOR-UHFFFAOYSA-N

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.