About 6-methyl-4,5-dihydro-2,1-benzoxazole
6-methyl-4,5-dihydro-2,1-benzoxazole (PubChem CID 178087591) has the molecular formula C8H9NO
and a molecular weight of 135.17 g/mol. Its IUPAC name is 6-methyl-4,5-dihydro-2,1-benzoxazole.
Molecular Properties
| Compound Name | 6-methyl-4,5-dihydro-2,1-benzoxazole |
|---|
| PubChem CID | 178087591 |
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| Molecular Formula | C8H9NO |
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| Molecular Weight | 135.17 g/mol |
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| Exact Mass | 135.07 |
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| IUPAC Name | 6-methyl-4,5-dihydro-2,1-benzoxazole |
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| SMILES | CC1=Cc2nocc2CC1 |
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| InChI | InChI=1S/C8H9NO/c1-6-2-3-7-5-10-9-8(7)4-6/h4-5H,2-3H2,1H3 |
|---|
| InChIKey | CBGTZWWTTYWRCI-UHFFFAOYSA-N |
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| XLogP | 2.02 |
|---|
| 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 | 135.17 |
| LogP ≤ 5 | 2.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 6-methyl-4,5-dihydro-2,1-benzoxazole?
The IUPAC name of 6-methyl-4,5-dihydro-2,1-benzoxazole (CID 178087591) is 6-methyl-4,5-dihydro-2,1-benzoxazole.
What is the SMILES notation for 6-methyl-4,5-dihydro-2,1-benzoxazole?
The canonical SMILES for 6-methyl-4,5-dihydro-2,1-benzoxazole is CC1=Cc2nocc2CC1.
What is the InChIKey of 6-methyl-4,5-dihydro-2,1-benzoxazole?
The InChIKey is CBGTZWWTTYWRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-6-2-3-7-5-10-9-8(7)4-6/h4-5H,2-3H2,1H3.
What are the key properties of 6-methyl-4,5-dihydro-2,1-benzoxazole?
6-methyl-4,5-dihydro-2,1-benzoxazole has a molecular weight of 135.17 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,5-dihydro-2,1-benzoxazole is sourced from PubChem (CID 178087591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).