Chemical Components in the PDB

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ZMI : Summary

Code

ZMI

One-letter code

X

Molecule name

~{N}'-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}'-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide

Formula

C11 H10 F N3 O2

Formal charge

0

Molecular weight

235.214 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1onc(c1)C(=O)NNc2ccccc2F
SMILES OpenEye OEToolkits 2.0.7 Cc1cc(no1)C(=O)NNc2ccccc2F
Canonical SMILES CACTVS 3.385 Cc1onc(c1)C(=O)NNc2ccccc2F
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1cc(no1)C(=O)NNc2ccccc2F

IUPAC InChI

InChI=1S/C11H10FN3O2/c1-7-6-10(15-17-7)11(16)14-13-9-5-3-2-4-8(9)12/h2-6,13H,1H3,(H,14,16)

IUPAC InChI key

VNJQNKZHKFEHID-UHFFFAOYSA-N
ZMI

wwPDB Information

Atom count

27 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-06-28

Last modified at

2024-01-26

Status

Released

Obsoleted

Not Assigned