Chemical Components in the PDB

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U2T : Summary

Code

U2T

One-letter code

X

Molecule name

3-(4-~{tert}-butylphenyl)-1,2,4-oxadiazole-5-carbohydrazide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 3-(4-~{tert}-butylphenyl)-1,2,4-oxadiazole-5-carbohydrazide

Formula

C13 H16 N4 O2

Formal charge

0

Molecular weight

260.292 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(C)(C)c1ccc(cc1)c2noc(n2)C(=O)NN
SMILES OpenEye OEToolkits 2.0.7 CC(C)(C)c1ccc(cc1)c2nc(on2)C(=O)NN
Canonical SMILES CACTVS 3.385 CC(C)(C)c1ccc(cc1)c2noc(n2)C(=O)NN
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)(C)c1ccc(cc1)c2nc(on2)C(=O)NN

IUPAC InChI

InChI=1S/C13H16N4O2/c1-13(2,3)9-6-4-8(5-7-9)10-15-12(19-17-10)11(18)16-14/h4-7H,14H2,1-3H3,(H,16,18)

IUPAC InChI key

VCNKWJYUMPASMU-UHFFFAOYSA-N
U2T

wwPDB Information

Atom count

35 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-01-19

Last modified at

2022-02-25

Status

Released

Obsoleted

Not Assigned