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- ChemComp-ZP5: 4-(furan-2-carbonyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: ZP5
NameName: 4-(furan-2-carbonyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide

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Chemical information

Composition
Formula: C13H14N4O4 / Number of atoms: 35 / Formula weight: 290.275 / Formal charge: 0
Others

7fvm

Type: non-polymer / PDB classification: HETAIN / Three letter code: ZP5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7FVM
History
Create componentMar 17, 2023
Initial releaseMar 29, 2023
External linksUniChem / ChemSpider / PubChem / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=C(Nc1ccon1)N1CCN(CC1)C(=O)c1ccco1
CACTVS 3.385O=C(Nc1ccon1)N2CCN(CC2)C(=O)c3occc3
OpenEye OEToolkits 2.0.7c1cc(oc1)C(=O)N2CCN(CC2)C(=O)Nc3ccon3

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SMILES CANONICAL

CACTVS 3.385O=C(Nc1ccon1)N2CCN(CC2)C(=O)c3occc3
OpenEye OEToolkits 2.0.7c1cc(oc1)C(=O)N2CCN(CC2)C(=O)Nc3ccon3

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InChI

InChI 1.06InChI=1S/C13H14N4O4/c18-12(10-2-1-8-20-10)16-4-6-17(7-5-16)13(19)14-11-3-9-21-15-11/h1-3,8-9H,4-7H2,(H,14,15,19)

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InChIKey

InChI 1.06JFRDDDWDJJFTRC-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-(furan-2-carbonyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
OpenEye OEToolkits 2.0.74-(furan-2-ylcarbonyl)-~{N}-(1,2-oxazol-3-yl)piperazine-1-carboxamide

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PDB entries

Showing all 1 items

PDB-7fvm:
PanDDA analysis group deposition -- PHIP in complex with Z1590917771

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