About 2-ethenyl-4,5-dihydro-1,3-oxazole;styrene
2-ethenyl-4,5-dihydro-1,3-oxazole;styrene (PubChem CID 66694655) has the molecular formula C13H15NO
and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-ethenyl-4,5-dihydro-1,3-oxazole;styrene.
Molecular Properties
| Compound Name | 2-ethenyl-4,5-dihydro-1,3-oxazole;styrene |
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| PubChem CID | 66694655 |
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| Molecular Formula | C13H15NO |
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| Molecular Weight | 201.27 g/mol |
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| Exact Mass | 201.12 |
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| IUPAC Name | 2-ethenyl-4,5-dihydro-1,3-oxazole;styrene |
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| SMILES | C=CC1=NCCO1.C=Cc1ccccc1 |
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| InChI | InChI=1S/C8H8.C5H7NO/c1-2-8-6-4-3-5-7-8;1-2-5-6-3-4-7-5/h2-7H,1H2;2H,1,3-4H2 |
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| InChIKey | CCLUUWFOQAVFKN-UHFFFAOYSA-N |
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| XLogP | 2.93 |
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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 | 2 |
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| Heavy Atoms | 15 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 201.27 |
| LogP ≤ 5 | 2.93 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-ethenyl-4,5-dihydro-1,3-oxazole;styrene?
The IUPAC name of 2-ethenyl-4,5-dihydro-1,3-oxazole;styrene (CID 66694655) is 2-ethenyl-4,5-dihydro-1,3-oxazole;styrene.
What is the SMILES notation for 2-ethenyl-4,5-dihydro-1,3-oxazole;styrene?
The canonical SMILES for 2-ethenyl-4,5-dihydro-1,3-oxazole;styrene is C=CC1=NCCO1.C=Cc1ccccc1.
What is the InChIKey of 2-ethenyl-4,5-dihydro-1,3-oxazole;styrene?
The InChIKey is CCLUUWFOQAVFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C5H7NO/c1-2-8-6-4-3-5-7-8;1-2-5-6-3-4-7-5/h2-7H,1H2;2H,1,3-4H2.
What are the key properties of 2-ethenyl-4,5-dihydro-1,3-oxazole;styrene?
2-ethenyl-4,5-dihydro-1,3-oxazole;styrene has a molecular weight of 201.27 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4,5-dihydro-1,3-oxazole;styrene is sourced from PubChem (CID 66694655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).