About (4R)-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
(4R)-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 140748087) has the molecular formula C25H32FNO5Si
and a molecular weight of 473.62 g/mol. Its IUPAC name is (4R)-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one.
Molecular Properties
| Compound Name | (4R)-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one |
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| PubChem CID | 140748087 |
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| Molecular Formula | C25H32FNO5Si |
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| Molecular Weight | 473.62 g/mol |
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| Exact Mass | 473.20 |
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| IUPAC Name | (4R)-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one |
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| SMILES | COc1ccc(C(CO[Si](C)(C)C(C)(C)C)C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1F |
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| InChI | InChI=1S/C25H32FNO5Si/c1-25(2,3)33(5,6)32-15-19(18-12-13-22(30-4)20(26)14-18)23(28)27-21(16-31-24(27)29)17-10-8-7-9-11-17/h7-14,19,21H,15-16H2,1-6H3/t19?,21-/m0/s1 |
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| InChIKey | ABKSZTKODNXLNK-QWAKEFERSA-N |
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| XLogP | 5.66 |
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| TPSA | 65.07 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 473.62 |
| LogP ≤ 5 | 5.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (4R)-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 140748087) is (4R)-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one is COc1ccc(C(CO[Si](C)(C)C(C)(C)C)C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1F.
What is the InChIKey of (4R)-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is ABKSZTKODNXLNK-QWAKEFERSA-N. The full InChI is InChI=1S/C25H32FNO5Si/c1-25(2,3)33(5,6)32-15-19(18-12-13-22(30-4)20(26)14-18)23(28)27-21(16-31-24(27)29)17-10-8-7-9-11-17/h7-14,19,21H,15-16H2,1-6H3/t19?,21-/m0/s1.
What are the key properties of (4R)-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 473.62 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 140748087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).