About copper bis(4,5-dihydro-2H-1,3-oxazol-2-ide)
copper bis(4,5-dihydro-2H-1,3-oxazol-2-ide) (PubChem CID 118020469) has the molecular formula C6H8CuN2O2
and a molecular weight of 203.69 g/mol. Its IUPAC name is copper bis(4,5-dihydro-2H-1,3-oxazol-2-ide).
Molecular Properties
| Compound Name | copper bis(4,5-dihydro-2H-1,3-oxazol-2-ide) |
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| PubChem CID | 118020469 |
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| Molecular Formula | C6H8CuN2O2 |
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| Molecular Weight | 203.69 g/mol |
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| Exact Mass | 202.99 |
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| IUPAC Name | copper bis(4,5-dihydro-2H-1,3-oxazol-2-ide) |
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| SMILES | [C-]1=NCCO1.[C-]1=NCCO1.[Cu+2] |
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| InChI | InChI=1S/2C3H4NO.Cu/c2*1-2-5-3-4-1;/h2*1-2H2;/q2*-1;+2 |
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| InChIKey | TYIQLTJSZGEOIC-UHFFFAOYSA-N |
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| XLogP | -0.16 |
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| TPSA | 43.18 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | |
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| Heavy Atoms | 11 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 203.69 |
| LogP ≤ 5 | -0.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of copper bis(4,5-dihydro-2H-1,3-oxazol-2-ide)?
The IUPAC name of copper bis(4,5-dihydro-2H-1,3-oxazol-2-ide) (CID 118020469) is copper bis(4,5-dihydro-2H-1,3-oxazol-2-ide).
What is the SMILES notation for copper bis(4,5-dihydro-2H-1,3-oxazol-2-ide)?
The canonical SMILES for copper bis(4,5-dihydro-2H-1,3-oxazol-2-ide) is [C-]1=NCCO1.[C-]1=NCCO1.[Cu+2].
What is the InChIKey of copper bis(4,5-dihydro-2H-1,3-oxazol-2-ide)?
The InChIKey is TYIQLTJSZGEOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H4NO.Cu/c2*1-2-5-3-4-1;/h2*1-2H2;/q2*-1;+2.
What are the key properties of copper bis(4,5-dihydro-2H-1,3-oxazol-2-ide)?
copper bis(4,5-dihydro-2H-1,3-oxazol-2-ide) has a molecular weight of 203.69 g/mol, XLogP of -0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(4,5-dihydro-2H-1,3-oxazol-2-ide) is sourced from PubChem (CID 118020469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).