Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

4R6 : Summary

Code

4R6

One-letter code

X

Molecule name

~{N}-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

Formula

C19 H17 Cl N2 O3

Formal charge

0

Molecular weight

356.803 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1onc(C)c1COc2ccccc2C(=O)Nc3cccc(Cl)c3
SMILES OpenEye OEToolkits 2.0.7 Cc1c(c(on1)C)COc2ccccc2C(=O)Nc3cccc(c3)Cl
Canonical SMILES CACTVS 3.385 Cc1onc(C)c1COc2ccccc2C(=O)Nc3cccc(Cl)c3
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1c(c(on1)C)COc2ccccc2C(=O)Nc3cccc(c3)Cl

IUPAC InChI

InChI=1S/C19H17ClN2O3/c1-12-17(13(2)25-22-12)11-24-18-9-4-3-8-16(18)19(23)21-15-7-5-6-14(20)10-15/h3-10H,11H2,1-2H3,(H,21,23)

IUPAC InChI key

GBCRFZDGOAATHA-UHFFFAOYSA-N
4R6

wwPDB Information

Atom count

42 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-02-02

Last modified at

2022-12-30

Status

Released

Obsoleted

Not Assigned