About 2,6-dimethylpyrazolo[5,1-b][1,3]oxazole
2,6-dimethylpyrazolo[5,1-b][1,3]oxazole (PubChem CID 67212461) has the molecular formula C7H8N2O
and a molecular weight of 136.15 g/mol. Its IUPAC name is 2,6-dimethylpyrazolo[5,1-b][1,3]oxazole.
Molecular Properties
| Compound Name | 2,6-dimethylpyrazolo[5,1-b][1,3]oxazole |
|---|
| PubChem CID | 67212461 |
|---|
| Molecular Formula | C7H8N2O |
|---|
| Molecular Weight | 136.15 g/mol |
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| Exact Mass | 136.06 |
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| IUPAC Name | 2,6-dimethylpyrazolo[5,1-b][1,3]oxazole |
|---|
| SMILES | Cc1cc2oc(C)cn2n1 |
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| InChI | InChI=1S/C7H8N2O/c1-5-3-7-9(8-5)4-6(2)10-7/h3-4H,1-2H3 |
|---|
| InChIKey | SUZVDYLKLJTIPU-UHFFFAOYSA-N |
|---|
| XLogP | 1.54 |
|---|
| TPSA | 30.44 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 3 |
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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 | 136.15 |
| LogP ≤ 5 | 1.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2,6-dimethylpyrazolo[5,1-b][1,3]oxazole?
The IUPAC name of 2,6-dimethylpyrazolo[5,1-b][1,3]oxazole (CID 67212461) is 2,6-dimethylpyrazolo[5,1-b][1,3]oxazole.
What is the SMILES notation for 2,6-dimethylpyrazolo[5,1-b][1,3]oxazole?
The canonical SMILES for 2,6-dimethylpyrazolo[5,1-b][1,3]oxazole is Cc1cc2oc(C)cn2n1.
What is the InChIKey of 2,6-dimethylpyrazolo[5,1-b][1,3]oxazole?
The InChIKey is SUZVDYLKLJTIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-5-3-7-9(8-5)4-6(2)10-7/h3-4H,1-2H3.
What are the key properties of 2,6-dimethylpyrazolo[5,1-b][1,3]oxazole?
2,6-dimethylpyrazolo[5,1-b][1,3]oxazole has a molecular weight of 136.15 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpyrazolo[5,1-b][1,3]oxazole is sourced from PubChem (CID 67212461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).