About zinc;1,3-oxazole;dichloride
zinc;1,3-oxazole;dichloride (PubChem CID 69350810) has the molecular formula C3H3Cl2NOZn
and a molecular weight of 205.36 g/mol. Its IUPAC name is zinc;1,3-oxazole;dichloride.
Molecular Properties
| Compound Name | zinc;1,3-oxazole;dichloride |
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| PubChem CID | 69350810 |
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| Molecular Formula | C3H3Cl2NOZn |
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| Molecular Weight | 205.36 g/mol |
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| Exact Mass | 202.89 |
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| IUPAC Name | zinc;1,3-oxazole;dichloride |
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| SMILES | [Cl-].[Cl-].[Zn+2].c1cocn1 |
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| InChI | InChI=1S/C3H3NO.2ClH.Zn/c1-2-5-3-4-1;;;/h1-3H;2*1H;/q;;;+2/p-2 |
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| InChIKey | ZNZXRHRWBUGBIB-UHFFFAOYSA-L |
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| XLogP | -5.32 |
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| TPSA | 26.03 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 205.36 |
| LogP ≤ 5 | -5.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of zinc;1,3-oxazole;dichloride?
The IUPAC name of zinc;1,3-oxazole;dichloride (CID 69350810) is zinc;1,3-oxazole;dichloride.
What is the SMILES notation for zinc;1,3-oxazole;dichloride?
The canonical SMILES for zinc;1,3-oxazole;dichloride is [Cl-].[Cl-].[Zn+2].c1cocn1.
What is the InChIKey of zinc;1,3-oxazole;dichloride?
The InChIKey is ZNZXRHRWBUGBIB-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H3NO.2ClH.Zn/c1-2-5-3-4-1;;;/h1-3H;2*1H;/q;;;+2/p-2.
What are the key properties of zinc;1,3-oxazole;dichloride?
zinc;1,3-oxazole;dichloride has a molecular weight of 205.36 g/mol, XLogP of -5.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;1,3-oxazole;dichloride is sourced from PubChem (CID 69350810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).