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

C16H22F3NO4Si — CID 70307052

IUPACbenzyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H]1N(C(=O)OCc2ccccc2)CO[C@@]1(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C16H22F3NO4Si/c1-12-15(16(17,18)19,24-25(2,3)4)23-11-20(12)14(21)22-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3/t12-,15-/m0/s1
InChIKeyHTIUZXYXSRYSAI-WFASDCNBSA-N
MW377.44 g/mol
LogP4.11
Rot. Bonds4

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

benzyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate (PubChem CID 70307052) has the molecular formula C16H22F3NO4Si and a molecular weight of 377.44 g/mol. Its IUPAC name is benzyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate
PubChem CID70307052
Molecular FormulaC16H22F3NO4Si
Molecular Weight377.44 g/mol
Exact Mass377.13
IUPAC Namebenzyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H]1N(C(=O)OCc2ccccc2)CO[C@@]1(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C16H22F3NO4Si/c1-12-15(16(17,18)19,24-25(2,3)4)23-11-20(12)14(21)22-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3/t12-,15-/m0/s1
InChIKeyHTIUZXYXSRYSAI-WFASDCNBSA-N
XLogP4.11
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.11
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 benzyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate (CID 70307052) is benzyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate is C[C@@H]1N(C(=O)OCc2ccccc2)CO[C@@]1(O[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of benzyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate?
The InChIKey is HTIUZXYXSRYSAI-WFASDCNBSA-N. The full InChI is InChI=1S/C16H22F3NO4Si/c1-12-15(16(17,18)19,24-25(2,3)4)23-11-20(12)14(21)22-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3/t12-,15-/m0/s1.
What are the key properties of benzyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate?
benzyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4S,5S)-4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 70307052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).