About 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide
2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide (PubChem CID 118411427) has the molecular formula C26H20F4N6O3
and a molecular weight of 540.48 g/mol. Its IUPAC name is 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide.
Molecular Properties
| Compound Name | 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide |
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| PubChem CID | 118411427 |
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| Molecular Formula | C26H20F4N6O3 |
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| Molecular Weight | 540.48 g/mol |
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| Exact Mass | 540.15 |
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| IUPAC Name | 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide |
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| SMILES | Cn1ccc(-c2cc(C(=O)Nc3cnc(CN4CCOC4=O)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1 |
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| InChI | InChI=1S/C26H20F4N6O3/c1-35-8-7-20(34-35)16-11-17(19(27)12-18(16)26(28,29)30)24(37)32-21-13-31-22(14-36-9-10-39-25(36)38)33-23(21)15-5-3-2-4-6-15/h2-8,11-13H,9-10,14H2,1H3,(H,32,37) |
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| InChIKey | MHLDLGCAGIYIQT-UHFFFAOYSA-N |
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| XLogP | 4.91 |
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| TPSA | 102.24 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 540.48 |
| LogP ≤ 5 | 4.91 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide (CID 118411427) is 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3cnc(CN4CCOC4=O)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1.
What is the InChIKey of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is MHLDLGCAGIYIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N6O3/c1-35-8-7-20(34-35)16-11-17(19(27)12-18(16)26(28,29)30)24(37)32-21-13-31-22(14-36-9-10-39-25(36)38)33-23(21)15-5-3-2-4-6-15/h2-8,11-13H,9-10,14H2,1H3,(H,32,37).
What are the key properties of 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide?
2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 540.48 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118411427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).