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- ChemComp-9OI: 1,3-oxazol-4-ylmethanamine -

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Basic information

EntryDatabase: PDB chemical components / ID: 9OI
NameName: 1,3-oxazol-4-ylmethanamine

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Chemical information

Composition
Formula: C4H6N2O / Number of atoms: 13 / Formula weight: 98.103 / Formal charge: 0
Others

7q9v

Type: non-polymer / PDB classification: HETAIN / Three letter code: 9OI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7Q9V
History
Create componentNov 19, 2021
Modify descriptorAug 22, 2022
Initial releaseNov 30, 2022
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 3.385NCc1cocn1
OpenEye OEToolkits 2.0.7c1c(nco1)CN

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SMILES CANONICAL

CACTVS 3.385NCc1cocn1
OpenEye OEToolkits 2.0.7c1c(nco1)CN

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InChI

InChI 1.06InChI=1S/C4H6N2O/c5-1-4-2-7-3-6-4/h2-3H,1,5H2

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InChIKey

InChI 1.06ULZXEYFKBUPRQM-UHFFFAOYSA-N

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PDB entries

Showing all 3 items

PDB-7h1o:
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1962142017

PDB-7q9v:
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 1-(1,3-oxazol-4-yl)methanamine

PDB-9hsp:
Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with oxazol-4-yl-methylamine

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