About 2-nonyl-4,5-dihydro-1,3-oxazole
2-nonyl-4,5-dihydro-1,3-oxazole (PubChem CID 11041711) has the molecular formula C12H23NO
and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-nonyl-4,5-dihydro-1,3-oxazole.
Molecular Properties
| Compound Name | 2-nonyl-4,5-dihydro-1,3-oxazole |
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| PubChem CID | 11041711 |
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| Molecular Formula | C12H23NO |
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| Molecular Weight | 197.32 g/mol |
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| Exact Mass | 197.18 |
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| IUPAC Name | 2-nonyl-4,5-dihydro-1,3-oxazole |
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| SMILES | CCCCCCCCCC1=NCCO1 |
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| InChI | InChI=1S/C12H23NO/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h2-11H2,1H3 |
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| InChIKey | OQWAVMKUNIQCFD-UHFFFAOYSA-N |
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| XLogP | 3.56 |
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| TPSA | 21.59 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 14 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 197.32 |
| LogP ≤ 5 | 3.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-nonyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-nonyl-4,5-dihydro-1,3-oxazole (CID 11041711) is 2-nonyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-nonyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-nonyl-4,5-dihydro-1,3-oxazole is CCCCCCCCCC1=NCCO1.
What is the InChIKey of 2-nonyl-4,5-dihydro-1,3-oxazole?
The InChIKey is OQWAVMKUNIQCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h2-11H2,1H3.
What are the key properties of 2-nonyl-4,5-dihydro-1,3-oxazole?
2-nonyl-4,5-dihydro-1,3-oxazole has a molecular weight of 197.32 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11041711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).