tert-butyl (4S,5S)-4-benzyl-2-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate

C19H28F3NO4Si — CID 57274905

IUPACtert-butyl (4S,5S)-4-benzyl-2-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(C(F)(F)F)O[C@@H](O[Si](C)(C)C)[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H28F3NO4Si/c1-18(2,3)26-17(24)23-14(12-13-10-8-7-9-11-13)15(27-28(4,5)6)25-16(23)19(20,21)22/h7-11,14-16H,12H2,1-6H3/t14-,15-,16?/m0/s1
InChIKeyHDAYKAXILYGYLP-KSCSMHSMSA-N
MW419.52 g/mol
LogP4.93
Rot. Bonds4

About tert-butyl (4S,5S)-4-benzyl-2-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5S)-4-benzyl-2-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate (PubChem CID 57274905) has the molecular formula C19H28F3NO4Si and a molecular weight of 419.52 g/mol. Its IUPAC name is tert-butyl (4S,5S)-4-benzyl-2-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5S)-4-benzyl-2-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate
PubChem CID57274905
Molecular FormulaC19H28F3NO4Si
Molecular Weight419.52 g/mol
Exact Mass419.17
IUPAC Nametert-butyl (4S,5S)-4-benzyl-2-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(C(F)(F)F)O[C@@H](O[Si](C)(C)C)[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H28F3NO4Si/c1-18(2,3)26-17(24)23-14(12-13-10-8-7-9-11-13)15(27-28(4,5)6)25-16(23)19(20,21)22/h7-11,14-16H,12H2,1-6H3/t14-,15-,16?/m0/s1
InChIKeyHDAYKAXILYGYLP-KSCSMHSMSA-N
XLogP4.93
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 54.93
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 tert-butyl (4S,5S)-4-benzyl-2-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S,5S)-4-benzyl-2-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate (CID 57274905) is tert-butyl (4S,5S)-4-benzyl-2-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S,5S)-4-benzyl-2-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S,5S)-4-benzyl-2-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C(C(F)(F)F)O[C@@H](O[Si](C)(C)C)[C@@H]1Cc1ccccc1.
What is the InChIKey of tert-butyl (4S,5S)-4-benzyl-2-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate?
The InChIKey is HDAYKAXILYGYLP-KSCSMHSMSA-N. The full InChI is InChI=1S/C19H28F3NO4Si/c1-18(2,3)26-17(24)23-14(12-13-10-8-7-9-11-13)15(27-28(4,5)6)25-16(23)19(20,21)22/h7-11,14-16H,12H2,1-6H3/t14-,15-,16?/m0/s1.
What are the key properties of tert-butyl (4S,5S)-4-benzyl-2-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S,5S)-4-benzyl-2-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate has a molecular weight of 419.52 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5S)-4-benzyl-2-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 57274905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).