[(3R,5S)-2-benzyl-3-ethyl-5-phenyl-1,2-oxazolidin-5-yl]oxy-trimethylsilane

C21H29NO2Si — CID 10991887

IUPAC[(3R,5S)-2-benzyl-3-ethyl-5-phenyl-1,2-oxazolidin-5-yl]oxy-trimethylsilane
SMILESCC[C@@H]1C[C@](O[Si](C)(C)C)(c2ccccc2)ON1Cc1ccccc1
InChIInChI=1S/C21H29NO2Si/c1-5-20-16-21(24-25(2,3)4,19-14-10-7-11-15-19)23-22(20)17-18-12-8-6-9-13-18/h6-15,20H,5,16-17H2,1-4H3/t20-,21+/m1/s1
InChIKeyPKDOGVIXTVZHTF-RTWAWAEBSA-N
MW355.55 g/mol
LogP5.31
Rot. Bonds6

About [(3R,5S)-2-benzyl-3-ethyl-5-phenyl-1,2-oxazolidin-5-yl]oxy-trimethylsilane

[(3R,5S)-2-benzyl-3-ethyl-5-phenyl-1,2-oxazolidin-5-yl]oxy-trimethylsilane (PubChem CID 10991887) has the molecular formula C21H29NO2Si and a molecular weight of 355.55 g/mol. Its IUPAC name is [(3R,5S)-2-benzyl-3-ethyl-5-phenyl-1,2-oxazolidin-5-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3R,5S)-2-benzyl-3-ethyl-5-phenyl-1,2-oxazolidin-5-yl]oxy-trimethylsilane
PubChem CID10991887
Molecular FormulaC21H29NO2Si
Molecular Weight355.55 g/mol
Exact Mass355.20
IUPAC Name[(3R,5S)-2-benzyl-3-ethyl-5-phenyl-1,2-oxazolidin-5-yl]oxy-trimethylsilane
SMILESCC[C@@H]1C[C@](O[Si](C)(C)C)(c2ccccc2)ON1Cc1ccccc1
InChIInChI=1S/C21H29NO2Si/c1-5-20-16-21(24-25(2,3)4,19-14-10-7-11-15-19)23-22(20)17-18-12-8-6-9-13-18/h6-15,20H,5,16-17H2,1-4H3/t20-,21+/m1/s1
InChIKeyPKDOGVIXTVZHTF-RTWAWAEBSA-N
XLogP5.31
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.55
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(3R,5S)-2-benzyl-3-ethyl-5-phenyl-1,2-oxazolidin-5-yl]oxy-trimethylsilane?
The IUPAC name of [(3R,5S)-2-benzyl-3-ethyl-5-phenyl-1,2-oxazolidin-5-yl]oxy-trimethylsilane (CID 10991887) is [(3R,5S)-2-benzyl-3-ethyl-5-phenyl-1,2-oxazolidin-5-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3R,5S)-2-benzyl-3-ethyl-5-phenyl-1,2-oxazolidin-5-yl]oxy-trimethylsilane?
The canonical SMILES for [(3R,5S)-2-benzyl-3-ethyl-5-phenyl-1,2-oxazolidin-5-yl]oxy-trimethylsilane is CC[C@@H]1C[C@](O[Si](C)(C)C)(c2ccccc2)ON1Cc1ccccc1.
What is the InChIKey of [(3R,5S)-2-benzyl-3-ethyl-5-phenyl-1,2-oxazolidin-5-yl]oxy-trimethylsilane?
The InChIKey is PKDOGVIXTVZHTF-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H29NO2Si/c1-5-20-16-21(24-25(2,3)4,19-14-10-7-11-15-19)23-22(20)17-18-12-8-6-9-13-18/h6-15,20H,5,16-17H2,1-4H3/t20-,21+/m1/s1.
What are the key properties of [(3R,5S)-2-benzyl-3-ethyl-5-phenyl-1,2-oxazolidin-5-yl]oxy-trimethylsilane?
[(3R,5S)-2-benzyl-3-ethyl-5-phenyl-1,2-oxazolidin-5-yl]oxy-trimethylsilane has a molecular weight of 355.55 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-2-benzyl-3-ethyl-5-phenyl-1,2-oxazolidin-5-yl]oxy-trimethylsilane is sourced from PubChem (CID 10991887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).