[(1S)-2-(dibenzylamino)-1-trimethylsilylethyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C27H40N2O3Si — CID 14945794

IUPAC[(1S)-2-(dibenzylamino)-1-trimethylsilylethyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)O[C@H](CN(Cc1ccccc1)Cc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C27H40N2O3Si/c1-26(2)21-31-27(3,4)29(26)25(30)32-24(33(5,6)7)20-28(18-22-14-10-8-11-15-22)19-23-16-12-9-13-17-23/h8-17,24H,18-21H2,1-7H3/t24-/m0/s1
InChIKeyXONULHZRKPHWEZ-DEOSSOPVSA-N
MW468.71 g/mol
LogP5.92
Rot. Bonds8

About [(1S)-2-(dibenzylamino)-1-trimethylsilylethyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

[(1S)-2-(dibenzylamino)-1-trimethylsilylethyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 14945794) has the molecular formula C27H40N2O3Si and a molecular weight of 468.71 g/mol. Its IUPAC name is [(1S)-2-(dibenzylamino)-1-trimethylsilylethyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(1S)-2-(dibenzylamino)-1-trimethylsilylethyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID14945794
Molecular FormulaC27H40N2O3Si
Molecular Weight468.71 g/mol
Exact Mass468.28
IUPAC Name[(1S)-2-(dibenzylamino)-1-trimethylsilylethyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)O[C@H](CN(Cc1ccccc1)Cc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C27H40N2O3Si/c1-26(2)21-31-27(3,4)29(26)25(30)32-24(33(5,6)7)20-28(18-22-14-10-8-11-15-22)19-23-16-12-9-13-17-23/h8-17,24H,18-21H2,1-7H3/t24-/m0/s1
InChIKeyXONULHZRKPHWEZ-DEOSSOPVSA-N
XLogP5.92
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.71
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [(1S)-2-(dibenzylamino)-1-trimethylsilylethyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(1S)-2-(dibenzylamino)-1-trimethylsilylethyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 14945794) is [(1S)-2-(dibenzylamino)-1-trimethylsilylethyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(1S)-2-(dibenzylamino)-1-trimethylsilylethyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(1S)-2-(dibenzylamino)-1-trimethylsilylethyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CC1(C)COC(C)(C)N1C(=O)O[C@H](CN(Cc1ccccc1)Cc1ccccc1)[Si](C)(C)C.
What is the InChIKey of [(1S)-2-(dibenzylamino)-1-trimethylsilylethyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is XONULHZRKPHWEZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H40N2O3Si/c1-26(2)21-31-27(3,4)29(26)25(30)32-24(33(5,6)7)20-28(18-22-14-10-8-11-15-22)19-23-16-12-9-13-17-23/h8-17,24H,18-21H2,1-7H3/t24-/m0/s1.
What are the key properties of [(1S)-2-(dibenzylamino)-1-trimethylsilylethyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(1S)-2-(dibenzylamino)-1-trimethylsilylethyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 468.71 g/mol, XLogP of 5.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(dibenzylamino)-1-trimethylsilylethyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 14945794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).