About tert-butyl-[[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-1,3-oxazolidin-4-yl]methoxy]-diphenylsilane
tert-butyl-[[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-1,3-oxazolidin-4-yl]methoxy]-diphenylsilane (PubChem CID 123361401) has the molecular formula C29H37ClN4O3Si
and a molecular weight of 553.18 g/mol. Its IUPAC name is tert-butyl-[[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-1,3-oxazolidin-4-yl]methoxy]-diphenylsilane.
Molecular Properties
| Compound Name | tert-butyl-[[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-1,3-oxazolidin-4-yl]methoxy]-diphenylsilane |
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| PubChem CID | 123361401 |
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| Molecular Formula | C29H37ClN4O3Si |
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| Molecular Weight | 553.18 g/mol |
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| Exact Mass | 552.23 |
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| IUPAC Name | tert-butyl-[[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-1,3-oxazolidin-4-yl]methoxy]-diphenylsilane |
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| SMILES | CC1OCN(c2cc(Cl)nc(N3CCOCC3)n2)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C |
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| InChI | InChI=1S/C29H37ClN4O3Si/c1-22-25(34(21-36-22)27-19-26(30)31-28(32-27)33-15-17-35-18-16-33)20-37-38(29(2,3)4,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,19,22,25H,15-18,20-21H2,1-4H3 |
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| InChIKey | QVPSSPUQQRIYBJ-UHFFFAOYSA-N |
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| XLogP | 4.09 |
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| TPSA | 59.95 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 553.18 |
| LogP ≤ 5 | 4.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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 tert-butyl-[[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-1,3-oxazolidin-4-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-1,3-oxazolidin-4-yl]methoxy]-diphenylsilane (CID 123361401) is tert-butyl-[[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-1,3-oxazolidin-4-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-1,3-oxazolidin-4-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-1,3-oxazolidin-4-yl]methoxy]-diphenylsilane is CC1OCN(c2cc(Cl)nc(N3CCOCC3)n2)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-1,3-oxazolidin-4-yl]methoxy]-diphenylsilane?
The InChIKey is QVPSSPUQQRIYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37ClN4O3Si/c1-22-25(34(21-36-22)27-19-26(30)31-28(32-27)33-15-17-35-18-16-33)20-37-38(29(2,3)4,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,19,22,25H,15-18,20-21H2,1-4H3.
What are the key properties of tert-butyl-[[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-1,3-oxazolidin-4-yl]methoxy]-diphenylsilane?
tert-butyl-[[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-1,3-oxazolidin-4-yl]methoxy]-diphenylsilane has a molecular weight of 553.18 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-1,3-oxazolidin-4-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 123361401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).