[(3S,5S)-2-benzyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane

C25H37NO2Si — CID 134923906

IUPAC[(3S,5S)-2-benzyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)[C@@H]1C[C@](O[Si](C)(C)C(C)(C)C)(c2ccccc2)ON1Cc1ccccc1
InChIInChI=1S/C25H37NO2Si/c1-20(2)23-18-25(22-16-12-9-13-17-22,28-29(6,7)24(3,4)5)27-26(23)19-21-14-10-8-11-15-21/h8-17,20,23H,18-19H2,1-7H3/t23-,25-/m0/s1
InChIKeyXQZZZMISFJWZTG-ZCYQVOJMSA-N
MW411.66 g/mol
LogP6.72
Rot. Bonds6

About [(3S,5S)-2-benzyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane

[(3S,5S)-2-benzyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134923906) has the molecular formula C25H37NO2Si and a molecular weight of 411.66 g/mol. Its IUPAC name is [(3S,5S)-2-benzyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3S,5S)-2-benzyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134923906
Molecular FormulaC25H37NO2Si
Molecular Weight411.66 g/mol
Exact Mass411.26
IUPAC Name[(3S,5S)-2-benzyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)[C@@H]1C[C@](O[Si](C)(C)C(C)(C)C)(c2ccccc2)ON1Cc1ccccc1
InChIInChI=1S/C25H37NO2Si/c1-20(2)23-18-25(22-16-12-9-13-17-22,28-29(6,7)24(3,4)5)27-26(23)19-21-14-10-8-11-15-21/h8-17,20,23H,18-19H2,1-7H3/t23-,25-/m0/s1
InChIKeyXQZZZMISFJWZTG-ZCYQVOJMSA-N
XLogP6.72
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.66
LogP ≤ 56.72
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 [(3S,5S)-2-benzyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3S,5S)-2-benzyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane (CID 134923906) is [(3S,5S)-2-benzyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3S,5S)-2-benzyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3S,5S)-2-benzyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane is CC(C)[C@@H]1C[C@](O[Si](C)(C)C(C)(C)C)(c2ccccc2)ON1Cc1ccccc1.
What is the InChIKey of [(3S,5S)-2-benzyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is XQZZZMISFJWZTG-ZCYQVOJMSA-N. The full InChI is InChI=1S/C25H37NO2Si/c1-20(2)23-18-25(22-16-12-9-13-17-22,28-29(6,7)24(3,4)5)27-26(23)19-21-14-10-8-11-15-21/h8-17,20,23H,18-19H2,1-7H3/t23-,25-/m0/s1.
What are the key properties of [(3S,5S)-2-benzyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
[(3S,5S)-2-benzyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 411.66 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-2-benzyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134923906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).