Chemical Components in the PDB

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8WZ : Summary

Code

8WZ

One-letter code

X

Molecule name

7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine

Formula

C12 H10 N2 O2

Formal charge

0

Molecular weight

214.22 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1cc2nc(N)oc2c(c1)c3occc3
SMILES OpenEye OEToolkits 2.0.6 Cc1cc(c2c(c1)nc(o2)N)c3ccco3
Canonical SMILES CACTVS 3.385 Cc1cc2nc(N)oc2c(c1)c3occc3
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1cc(c2c(c1)nc(o2)N)c3ccco3

IUPAC InChI

InChI=1S/C12H10N2O2/c1-7-5-8(10-3-2-4-15-10)11-9(6-7)14-12(13)16-11/h2-6H,1H3,(H2,13,14)

IUPAC InChI key

PCWTZLKSTFUZKW-UHFFFAOYSA-N
8WZ

wwPDB Information

Atom count

26 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-03-21

Last modified at

2017-09-29

Status

Released

Obsoleted

Not Assigned