Chemical Components in the PDB

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QON : Summary

Code

QON

One-letter code

X

Molecule name

N-[1-(2-Chloroacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-[1-(2-chloranylethanoyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

Formula

C14 H18 Cl N3 O3

Formal charge

0

Molecular weight

311.764 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 ClCC(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3
SMILES OpenEye OEToolkits 2.0.7 c1c(onc1C(=O)NC2CCN(CC2)C(=O)CCl)C3CC3
Canonical SMILES CACTVS 3.385 ClCC(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3
Canonical SMILES OpenEye OEToolkits 2.0.7 c1c(onc1C(=O)NC2CCN(CC2)C(=O)CCl)C3CC3

IUPAC InChI

InChI=1S/C14H18ClN3O3/c15-8-13(19)18-5-3-10(4-6-18)16-14(20)11-7-12(21-17-11)9-1-2-9/h7,9-10H,1-6,8H2,(H,16,20)

IUPAC InChI key

OENTXAYVUCLRJQ-UHFFFAOYSA-N
QON

wwPDB Information

Atom count

39 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-07-13

Last modified at

2022-07-22

Status

Released

Obsoleted

Not Assigned