About (5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
(5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 15034723) has the molecular formula C23H24ClF3N2O4
and a molecular weight of 484.90 g/mol. Its IUPAC name is (5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one.
Molecular Properties
| Compound Name | (5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one |
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| PubChem CID | 15034723 |
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| Molecular Formula | C23H24ClF3N2O4 |
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| Molecular Weight | 484.90 g/mol |
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| Exact Mass | 484.14 |
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| IUPAC Name | (5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one |
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| SMILES | COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(Cl)c(C(F)(F)F)c4)CC3)OC2=O)cc1 |
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| InChI | InChI=1S/C23H24ClF3N2O4/c1-32-17-5-3-16(4-6-17)29-14-18(33-21(29)30)13-28-10-8-22(31,9-11-28)15-2-7-20(24)19(12-15)23(25,26)27/h2-7,12,18,31H,8-11,13-14H2,1H3/t18-/m0/s1 |
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| InChIKey | UWERSZSISRYZKK-SFHVURJKSA-N |
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| XLogP | 4.68 |
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| TPSA | 62.24 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 33 |
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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 | 484.90 |
| LogP ≤ 5 | 4.68 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of (5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one (CID 15034723) is (5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one is COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(Cl)c(C(F)(F)F)c4)CC3)OC2=O)cc1.
What is the InChIKey of (5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is UWERSZSISRYZKK-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24ClF3N2O4/c1-32-17-5-3-16(4-6-17)29-14-18(33-21(29)30)13-28-10-8-22(31,9-11-28)15-2-7-20(24)19(12-15)23(25,26)27/h2-7,12,18,31H,8-11,13-14H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
(5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 484.90 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 15034723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).