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

C13H24F3NO4Si — CID 57272660

IUPACtert-butyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H]1N(C(=O)OC(C)(C)C)CO[C@@]1(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C13H24F3NO4Si/c1-9-12(13(14,15)16,21-22(5,6)7)19-8-17(9)10(18)20-11(2,3)4/h9H,8H2,1-7H3/t9-,12-/m0/s1
InChIKeyXYXNUVHXENMULV-CABZTGNLSA-N
MW343.42 g/mol
LogP3.71
Rot. Bonds2

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

tert-butyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate (PubChem CID 57272660) has the molecular formula C13H24F3NO4Si and a molecular weight of 343.42 g/mol. Its IUPAC name is tert-butyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate
PubChem CID57272660
Molecular FormulaC13H24F3NO4Si
Molecular Weight343.42 g/mol
Exact Mass343.14
IUPAC Nametert-butyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H]1N(C(=O)OC(C)(C)C)CO[C@@]1(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C13H24F3NO4Si/c1-9-12(13(14,15)16,21-22(5,6)7)19-8-17(9)10(18)20-11(2,3)4/h9H,8H2,1-7H3/t9-,12-/m0/s1
InChIKeyXYXNUVHXENMULV-CABZTGNLSA-N
XLogP3.71
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (4S,5R)-5-hydroxy-5-[(4R,5R)-5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidin-5-yl]-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
CID 146033749
tert-butyl (4R)-2-acetyl-4-methylpyrrolidine-1-carboxylate
CID 134421285
tert-butyl (2S,4R)-4-hydroxy-2-(trimethylsilyloxymethyl)pyrrolidine-1-carboxylate
CID 50916738
2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 67119719
tert-butyl 3-acetyl-2-methylazetidine-1-carboxylate
CID 122590400
tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate
CID 99770590
tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate
CID 174284070
4-(difluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-trimethylsilyloxypiperidine-2-carboxylic acid
CID 166454786
(2S,3S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 169449252
ethane;2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 178026408
tert-butyl 3-hydroxy-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 137333297
tert-butyl (2S)-2-formyloxy-4-methylpyrrolidine-1-carboxylate
CID 174682221

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate (CID 57272660) is tert-butyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate is C[C@@H]1N(C(=O)OC(C)(C)C)CO[C@@]1(O[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of tert-butyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate?
The InChIKey is XYXNUVHXENMULV-CABZTGNLSA-N. The full InChI is InChI=1S/C13H24F3NO4Si/c1-9-12(13(14,15)16,21-22(5,6)7)19-8-17(9)10(18)20-11(2,3)4/h9H,8H2,1-7H3/t9-,12-/m0/s1.
What are the key properties of tert-butyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate has a molecular weight of 343.42 g/mol, XLogP of 3.71, 2 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-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 57272660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).