Chemical Components in the PDB

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UUM : Summary

Code

UUM

One-letter code

X

Molecule name

5-methyl-N-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 5-methyl-N-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxamide
OpenEye OEToolkits 2.0.7 5-methyl-~{N}-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide

Formula

C9 H10 N4 O2

Formal charge

0

Molecular weight

206.201 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N(c1cn(C)nc1)C(=O)c2noc(C)c2
SMILES CACTVS 3.385 Cn1cc(NC(=O)c2cc(C)on2)cn1
SMILES OpenEye OEToolkits 2.0.7 Cc1cc(no1)C(=O)Nc2cnn(c2)C
Canonical SMILES CACTVS 3.385 Cn1cc(NC(=O)c2cc(C)on2)cn1
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1cc(no1)C(=O)Nc2cnn(c2)C

IUPAC InChI

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

IUPAC InChI key

NZGVYOGTUDYUSZ-UHFFFAOYSA-N
UUM

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

2020-06-02

Last modified at

2020-06-12

Status

Released

Obsoleted

Not Assigned