About 3-bromo-5-tert-butyl-1,2-oxazole
3-bromo-5-tert-butyl-1,2-oxazole (PubChem CID 59146011) has the molecular formula C7H10BrNO
and a molecular weight of 204.07 g/mol. Its IUPAC name is 3-bromo-5-tert-butyl-1,2-oxazole.
Molecular Properties
| Compound Name | 3-bromo-5-tert-butyl-1,2-oxazole |
|---|
| PubChem CID | 59146011 |
|---|
| Molecular Formula | C7H10BrNO |
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| Molecular Weight | 204.07 g/mol |
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| Exact Mass | 202.99 |
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| IUPAC Name | 3-bromo-5-tert-butyl-1,2-oxazole |
|---|
| SMILES | CC(C)(C)c1cc(Br)no1 |
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| InChI | InChI=1S/C7H10BrNO/c1-7(2,3)5-4-6(8)9-10-5/h4H,1-3H3 |
|---|
| InChIKey | MBDCFUHDHADNLB-UHFFFAOYSA-N |
|---|
| XLogP | 2.73 |
|---|
| 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 | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 204.07 |
| LogP ≤ 5 | 2.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 3-bromo-5-tert-butyl-1,2-oxazole?
The IUPAC name of 3-bromo-5-tert-butyl-1,2-oxazole (CID 59146011) is 3-bromo-5-tert-butyl-1,2-oxazole.
What is the SMILES notation for 3-bromo-5-tert-butyl-1,2-oxazole?
The canonical SMILES for 3-bromo-5-tert-butyl-1,2-oxazole is CC(C)(C)c1cc(Br)no1.
What is the InChIKey of 3-bromo-5-tert-butyl-1,2-oxazole?
The InChIKey is MBDCFUHDHADNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO/c1-7(2,3)5-4-6(8)9-10-5/h4H,1-3H3.
What are the key properties of 3-bromo-5-tert-butyl-1,2-oxazole?
3-bromo-5-tert-butyl-1,2-oxazole has a molecular weight of 204.07 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-tert-butyl-1,2-oxazole is sourced from PubChem (CID 59146011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).