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- ChemComp-L5Q: 5-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: L5Q
NameName: 5-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide

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Chemical information

Composition
Formula: C7H7F3N2O2 / Number of atoms: 21 / Formula weight: 208.138 / Formal charge: 0
Others

6sc0

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: L5Q / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6SC0
History
Create componentJul 23, 2019
Initial releaseAug 26, 2020
External linksUniChem / ChemSpider / PubChem / SureChEMBL / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385Cc1onc(c1)C(=O)NCC(F)(F)F
OpenEye OEToolkits 2.0.7Cc1cc(no1)C(=O)NCC(F)(F)F

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SMILES CANONICAL

CACTVS 3.385Cc1onc(c1)C(=O)NCC(F)(F)F
OpenEye OEToolkits 2.0.7Cc1cc(no1)C(=O)NCC(F)(F)F

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InChI

InChI 1.03InChI=1S/C7H7F3N2O2/c1-4-2-5(12-14-4)6(13)11-3-7(8,9)10/h2H,3H2,1H3,(H,11,13)

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InChIKey

InChI 1.03XCSPVFNSKGQNKR-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6sc0:
THERMOLYSIN IN COMPLEX WITH FRAGMENT J22

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