About 1,3-benzoxazole;naphthalene
1,3-benzoxazole;naphthalene (PubChem CID 69020592) has the molecular formula C17H13NO
and a molecular weight of 247.30 g/mol. Its IUPAC name is 1,3-benzoxazole;naphthalene.
Molecular Properties
| Compound Name | 1,3-benzoxazole;naphthalene |
|---|
| PubChem CID | 69020592 |
|---|
| Molecular Formula | C17H13NO |
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| Molecular Weight | 247.30 g/mol |
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| Exact Mass | 247.10 |
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| IUPAC Name | 1,3-benzoxazole;naphthalene |
|---|
| SMILES | c1ccc2ccccc2c1.c1ccc2ocnc2c1 |
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| InChI | InChI=1S/C10H8.C7H5NO/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-7-6(3-1)8-5-9-7/h1-8H;1-5H |
|---|
| InChIKey | NFASPFSZJVDDDG-UHFFFAOYSA-N |
|---|
| XLogP | 4.67 |
|---|
| TPSA | 26.03 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 19 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 247.30 |
| LogP ≤ 5 | 4.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 1,3-benzoxazole;naphthalene?
The IUPAC name of 1,3-benzoxazole;naphthalene (CID 69020592) is 1,3-benzoxazole;naphthalene.
What is the SMILES notation for 1,3-benzoxazole;naphthalene?
The canonical SMILES for 1,3-benzoxazole;naphthalene is c1ccc2ccccc2c1.c1ccc2ocnc2c1.
What is the InChIKey of 1,3-benzoxazole;naphthalene?
The InChIKey is NFASPFSZJVDDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C7H5NO/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-7-6(3-1)8-5-9-7/h1-8H;1-5H.
What are the key properties of 1,3-benzoxazole;naphthalene?
1,3-benzoxazole;naphthalene has a molecular weight of 247.30 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazole;naphthalene is sourced from PubChem (CID 69020592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).