PQU

(5S)-3-anilino-5-methyl-5-(6-phenoxypyridin-3-yl)-1,3-oxazolidine-2,4-dione

Created:	2021-12-22
Last modified:	2023-01-18

Find Related PDB Entry
2 entries where PQU is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	1
Bond Count	48
Aromatic Bond Count	18

2D diagram of PQU

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(5S)-3-anilino-5-methyl-5-(6-phenoxypyridin-3-yl)-1,3-oxazolidine-2,4-dione
Systematic Name (OpenEye OEToolkits)	(5~{S})-5-methyl-5-(6-phenoxypyridin-3-yl)-3-phenylazanyl-1,3-oxazolidine-2,4-dione
Formula	C₂₁ H₁₇ N₃ O₄
Molecular Weight	375.377
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC1(OC(=O)N(Nc2ccccc2)C1=O)c1cnc(Oc2ccccc2)cc1
SMILES	CACTVS	3.385	C[C]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc4ccccc4)nc3
SMILES	OpenEye OEToolkits	2.0.7	CC1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(nc3)Oc4ccccc4
Canonical SMILES	CACTVS	3.385	C[C@]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc4ccccc4)nc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(nc3)Oc4ccccc4
InChI	InChI	1.03	InChI=1S/C21H17N3O4/c1-21(15-12-13-18(22-14-15)27-17-10-6-3-7-11-17)19(25)24(20(26)28-21)23-16-8-4-2-5-9-16/h2-14,23H,1H3/t21-/m0/s1
InChIKey	InChI	1.03	QOFLFGUNPBNKDO-NRFANRHFSA-N

Related Resource References

Resource Name	Reference
PubChem	166450917

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.