Chemical Components in the PDB

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8SG : Summary

Code

8SG

One-letter code

X

Molecule name

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

Systematic names

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

Formula

C9 H8 N2 O3

Formal charge

0

Molecular weight

192.171 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N(C(=O)c1ccco1)c2cc(C)no2
SMILES CACTVS 3.385 Cc1cc(NC(=O)c2occc2)on1
SMILES OpenEye OEToolkits 2.0.6 Cc1cc(on1)NC(=O)c2ccco2
Canonical SMILES CACTVS 3.385 Cc1cc(NC(=O)c2occc2)on1
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1cc(on1)NC(=O)c2ccco2

IUPAC InChI

InChI=1S/C9H8N2O3/c1-6-5-8(14-11-6)10-9(12)7-3-2-4-13-7/h2-5H,1H3,(H,10,12)

IUPAC InChI key

DXEANZHOQJCTFV-UHFFFAOYSA-N
8SG

wwPDB Information

Atom count

22 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-03-03

Last modified at

2017-03-10

Status

Released

Obsoleted

Not Assigned