About 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide
2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide (PubChem CID 155924246) has the molecular formula C23H28FN5O3
and a molecular weight of 441.51 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide.
Molecular Properties
| Compound Name | 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide |
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| PubChem CID | 155924246 |
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| Molecular Formula | C23H28FN5O3 |
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| Molecular Weight | 441.51 g/mol |
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| Exact Mass | 441.22 |
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| IUPAC Name | 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide |
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| SMILES | CN(C)CC(=O)N[C@@H](CCCCCC(=O)c1ccon1)c1ncc(-c2ccccc2F)[nH]1 |
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| InChI | InChI=1S/C23H28FN5O3/c1-29(2)15-22(31)26-19(10-4-3-5-11-21(30)18-12-13-32-28-18)23-25-14-20(27-23)16-8-6-7-9-17(16)24/h6-9,12-14,19H,3-5,10-11,15H2,1-2H3,(H,25,27)(H,26,31)/t19-/m0/s1 |
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| InChIKey | LIFSXYRTQZMHIJ-IBGZPJMESA-N |
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| XLogP | 3.76 |
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| TPSA | 104.12 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 441.51 |
| LogP ≤ 5 | 3.76 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide (CID 155924246) is 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide is CN(C)CC(=O)N[C@@H](CCCCCC(=O)c1ccon1)c1ncc(-c2ccccc2F)[nH]1.
What is the InChIKey of 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide?
The InChIKey is LIFSXYRTQZMHIJ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28FN5O3/c1-29(2)15-22(31)26-19(10-4-3-5-11-21(30)18-12-13-32-28-18)23-25-14-20(27-23)16-8-6-7-9-17(16)24/h6-9,12-14,19H,3-5,10-11,15H2,1-2H3,(H,25,27)(H,26,31)/t19-/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide?
2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide has a molecular weight of 441.51 g/mol, XLogP of 3.76, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide is sourced from PubChem (CID 155924246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).