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- ChemComp-J9Q: 2-(1,3-oxazol-5-yl)aniline -

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Basic information

EntryDatabase: PDB chemical components / ID: J9Q
NameName: 2-(1,3-oxazol-5-yl)aniline

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Chemical information

Composition
Formula: C9H8N2O / Number of atoms: 20 / Formula weight: 160.173 / Formal charge: 0
Others

6qoc

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: J9Q / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6QOC
History
Create componentFeb 12, 2019
Initial releaseMar 4, 2020
External linksUniChem / ChemSpider / ChemicalBook / CompTox / PubChem / SureChEMBL / ZINC / 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 3.385Nc1ccccc1c2ocnc2
OpenEye OEToolkits 2.0.7c1ccc(c(c1)c2cnco2)N

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SMILES CANONICAL

CACTVS 3.385Nc1ccccc1c2ocnc2
OpenEye OEToolkits 2.0.7c1ccc(c(c1)c2cnco2)N

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InChI

InChI 1.03InChI=1S/C9H8N2O/c10-8-4-2-1-3-7(8)9-5-11-6-12-9/h1-6H,10H2

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InChIKey

InChI 1.03UZPQWOKKMYUKNI-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6qoc:
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 6 (2-(1,3-oxazol-5-yl) aniline)

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