Chemical Components in the PDB

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YBU : Summary

Code

YBU

One-letter code

X

Molecule name

(5-phenyl-1,3,4-oxadiazol-2-yl)methanimine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (5-phenyl-1,3,4-oxadiazol-2-yl)methanimine

Formula

C9 H7 N3 O

Formal charge

0

Molecular weight

173.171 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N=Cc1oc(nn1)c2ccccc2
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)c2nnc(o2)C=N
Canonical SMILES CACTVS 3.385 N=Cc1oc(nn1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.7 [H]/N=C\c1nnc(o1)c2ccccc2

IUPAC InChI

InChI=1S/C9H7N3O/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-6,10H/b10-6-

IUPAC InChI key

YVGIABMOZOZHSD-POHAHGRESA-N
YBU

wwPDB Information

Atom count

20 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-06-13

Last modified at

2023-06-23

Status

Released

Obsoleted

Not Assigned