Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

K0M : Summary

Code

K0M

One-letter code

X

Molecule name

3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
OpenEye OEToolkits 2.0.6 3-methyl-~{N}-(1-methylpyrazol-3-yl)-1,2-oxazole-5-carboxamide

Formula

C9 H10 N4 O2

Formal charge

0

Molecular weight

206.201 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N(c1nn(cc1)C)C(c2onc(C)c2)=O
SMILES CACTVS 3.385 Cn1ccc(NC(=O)c2onc(C)c2)n1
SMILES OpenEye OEToolkits 2.0.6 Cc1cc(on1)C(=O)Nc2ccn(n2)C
Canonical SMILES CACTVS 3.385 Cn1ccc(NC(=O)c2onc(C)c2)n1
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1cc(on1)C(=O)Nc2ccn(n2)C

IUPAC InChI

InChI=1S/C9H10N4O2/c1-6-5-7(15-12-6)9(14)10-8-3-4-13(2)11-8/h3-5H,1-2H3,(H,10,11,14)

IUPAC InChI key

DMCIRIFKONIQNK-UHFFFAOYSA-N
K0M

wwPDB Information

Atom count

25 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-10-25

Last modified at

2018-12-14

Status

Released

Obsoleted

Not Assigned