[(1S)-1-[(2R,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane

C27H39NO2Si — CID 10950198

IUPAC[(1S)-1-[(2R,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane
SMILESCC(C)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1C[C@@H]2CCCCN2O1
InChIInChI=1S/C27H39NO2Si/c1-21(2)26(25-20-22-14-12-13-19-28(22)29-25)30-31(27(3,4)5,23-15-8-6-9-16-23)24-17-10-7-11-18-24/h6-11,15-18,21-22,25-26H,12-14,19-20H2,1-5H3/t22-,25+,26-/m0/s1
InChIKeySCUKYHLCQQXUKV-DFCKQENNSA-N
MW437.70 g/mol
LogP5.15
Rot. Bonds6

About [(1S)-1-[(2R,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane

[(1S)-1-[(2R,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane (PubChem CID 10950198) has the molecular formula C27H39NO2Si and a molecular weight of 437.70 g/mol. Its IUPAC name is [(1S)-1-[(2R,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(1S)-1-[(2R,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane
PubChem CID10950198
Molecular FormulaC27H39NO2Si
Molecular Weight437.70 g/mol
Exact Mass437.28
IUPAC Name[(1S)-1-[(2R,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane
SMILESCC(C)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1C[C@@H]2CCCCN2O1
InChIInChI=1S/C27H39NO2Si/c1-21(2)26(25-20-22-14-12-13-19-28(22)29-25)30-31(27(3,4)5,23-15-8-6-9-16-23)24-17-10-7-11-18-24/h6-11,15-18,21-22,25-26H,12-14,19-20H2,1-5H3/t22-,25+,26-/m0/s1
InChIKeySCUKYHLCQQXUKV-DFCKQENNSA-N
XLogP5.15
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.70
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(1S)-1-[(2R,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(2R,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(1S)-1-[(2R,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane (CID 10950198) is [(1S)-1-[(2R,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(1S)-1-[(2R,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(1S)-1-[(2R,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane is CC(C)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1C[C@@H]2CCCCN2O1.
What is the InChIKey of [(1S)-1-[(2R,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane?
The InChIKey is SCUKYHLCQQXUKV-DFCKQENNSA-N. The full InChI is InChI=1S/C27H39NO2Si/c1-21(2)26(25-20-22-14-12-13-19-28(22)29-25)30-31(27(3,4)5,23-15-8-6-9-16-23)24-17-10-7-11-18-24/h6-11,15-18,21-22,25-26H,12-14,19-20H2,1-5H3/t22-,25+,26-/m0/s1.
What are the key properties of [(1S)-1-[(2R,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane?
[(1S)-1-[(2R,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane has a molecular weight of 437.70 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(2R,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 10950198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).