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Summary Geometry Related PDB entries

YNR

Summary

Name:	5-tert-butyl-2-chloro-4-({(5M)-1-methyl-5-[5-(oxetan-3-yl)-1,2-oxazol-3-yl]-1H-imidazol-2-yl}methoxy)benzonitrile
Formula:	C22 H23 Cl N4 O3
Formal charge:	0
Formula weight:	426.896 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-tert-butyl-2-chloro-4-({(5M)-1-methyl-5-[5-(oxetan-3-yl)-1,2-oxazol-3-yl]-1H-imidazol-2-yl}methoxy)benzonitrile
OpenEye OEToolkits	2.0.7	5-~{tert}-butyl-2-chloranyl-4-[[1-methyl-5-[5-(oxetan-3-yl)-1,2-oxazol-3-yl]imidazol-2-yl]methoxy]benzenecarbonitrile

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(C)(C)c1cc(C#N)c(Cl)cc1OCc1ncc(n1C)c1cc(on1)C1COC1
InChI	InChI	1.06	InChI=1S/C22H23ClN4O3/c1-22(2,3)15-5-13(8-24)16(23)6-20(15)29-12-21-25-9-18(27(21)4)17-7-19(30-26-17)14-10-28-11-14/h5-7,9,14H,10-12H2,1-4H3
InChIKey	InChI	1.06	NIEWVJUNIDJWOX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1c(COc2cc(Cl)c(cc2C(C)(C)C)C#N)ncc1c3cc(on3)C4COC4
SMILES	CACTVS	3.385	Cn1c(COc2cc(Cl)c(cc2C(C)(C)C)C#N)ncc1c3cc(on3)C4COC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)(C)c1cc(c(cc1OCc2ncc(n2C)c3cc(on3)C4COC4)Cl)C#N
SMILES	OpenEye OEToolkits	2.0.7	CC(C)(C)c1cc(c(cc1OCc2ncc(n2C)c3cc(on3)C4COC4)Cl)C#N

251801

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