Chemical Components in the PDB

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J5G : Summary

Code

J5G

One-letter code

X

Molecule name

N-(5-methyl-1,2-oxazol-3-yl)acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(5-methyl-1,2-oxazol-3-yl)acetamide
OpenEye OEToolkits 2.0.6 ~{N}-(5-methyl-1,2-oxazol-3-yl)ethanamide

Formula

C6 H8 N2 O2

Formal charge

0

Molecular weight

140.14 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1(C)onc(NC(=O)C)c1
SMILES CACTVS 3.385 CC(=O)Nc1cc(C)on1
SMILES OpenEye OEToolkits 2.0.6 Cc1cc(no1)NC(=O)C
Canonical SMILES CACTVS 3.385 CC(=O)Nc1cc(C)on1
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1cc(no1)NC(=O)C

IUPAC InChI

InChI=1S/C6H8N2O2/c1-4-3-6(8-10-4)7-5(2)9/h3H,1-2H3,(H,7,8,9)

IUPAC InChI key

CUYZUESBPHQWRI-UHFFFAOYSA-N
J5G

wwPDB Information

Atom count

18 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-08-13

Last modified at

2019-12-13

Status

Released

Obsoleted

Not Assigned