Chemical Components in the PDB

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IZW : Summary

Code

IZW

One-letter code

X

Molecule name

8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinoline

Systematic names

ProgramVersionName
ACDLabs 12.01 8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinoline
OpenEye OEToolkits 2.0.7 5-methyl-2-phenyl-4-(2-quinolin-8-yloxyethyl)-1,3-oxazole

Formula

C21 H18 N2 O2

Formal charge

0

Molecular weight

330.38 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Cc1oc(nc1CCOc1cccc2cccnc21)c1ccccc1
SMILES CACTVS 3.385 Cc1oc(nc1CCOc2cccc3cccnc23)c4ccccc4
SMILES OpenEye OEToolkits 2.0.7 Cc1c(nc(o1)c2ccccc2)CCOc3cccc4c3nccc4
Canonical SMILES CACTVS 3.385 Cc1oc(nc1CCOc2cccc3cccnc23)c4ccccc4
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1c(nc(o1)c2ccccc2)CCOc3cccc4c3nccc4

IUPAC InChI

InChI=1S/C21H18N2O2/c1-15-18(23-21(25-15)17-7-3-2-4-8-17)12-14-24-19-11-5-9-16-10-6-13-22-20(16)19/h2-11,13H,12,14H2,1H3

IUPAC InChI key

JTAWSBLAJAKTEW-UHFFFAOYSA-N
IZW

wwPDB Information

Atom count

43 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-02-01

Last modified at

2022-10-07

Status

Released

Obsoleted

Not Assigned