tert-butyl (2R,4S)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate

C29H35NO3Sn — CID 11786341

IUPACtert-butyl (2R,4S)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)[C@H]1CO[C@H]([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C11H20NO3.3C6H5.Sn/c1-8(2)9-6-14-7-12(9)10(13)15-11(3,4)5;3*1-2-4-6-5-3-1;/h7-9H,6H2,1-5H3;3*1-5H;/t9-;;;;/m1..../s1
InChIKeyTXGJBHUQGFIPGC-RASHCQHBSA-N
MW564.31 g/mol
LogP4.31
Rot. Bonds5

About tert-butyl (2R,4S)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate

tert-butyl (2R,4S)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11786341) has the molecular formula C29H35NO3Sn and a molecular weight of 564.31 g/mol. Its IUPAC name is tert-butyl (2R,4S)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4S)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate
PubChem CID11786341
Molecular FormulaC29H35NO3Sn
Molecular Weight564.31 g/mol
Exact Mass565.16
IUPAC Nametert-butyl (2R,4S)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)[C@H]1CO[C@H]([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C11H20NO3.3C6H5.Sn/c1-8(2)9-6-14-7-12(9)10(13)15-11(3,4)5;3*1-2-4-6-5-3-1;/h7-9H,6H2,1-5H3;3*1-5H;/t9-;;;;/m1..../s1
InChIKeyTXGJBHUQGFIPGC-RASHCQHBSA-N
XLogP4.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.31
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2R,4S)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10837991
(4S)-3-diphenylphosphoryl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10687777
3-[(E)-1-deuterio-2-triphenylgermylethenyl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 176427617
tert-butyl (2S,4S)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate
CID 11319021
Benzene;3-cyclohexyl-5,5-dimethyl-1,3-oxazolidin-2-one
CID 145636893
4-[[Iodo(triphenyl)-lambda5-phosphanyl]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 162743940
(3-Methyl-2-oxo-1,3-oxazolidin-4-yl)methyl-triphenylphosphanium iodide
CID 169725717
tert-butyl (4S)-4-(2-diphenylphosphanylethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 12036823
tert-butyl (2S,4R)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate
CID 21577131
[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl-triphenylphosphanium
CID 101887268
(4S)-3-[(1Z)-1-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102189163
(4S)-3-[(1E,3E)-1-[tert-butyl(diphenyl)silyl]oxy-2-methylhexa-1,3-dienyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 122364545

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4S)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (2R,4S)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate (CID 11786341) is tert-butyl (2R,4S)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (2R,4S)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (2R,4S)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate is CC(C)[C@H]1CO[C@H]([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4S)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is TXGJBHUQGFIPGC-RASHCQHBSA-N. The full InChI is InChI=1S/C11H20NO3.3C6H5.Sn/c1-8(2)9-6-14-7-12(9)10(13)15-11(3,4)5;3*1-2-4-6-5-3-1;/h7-9H,6H2,1-5H3;3*1-5H;/t9-;;;;/m1..../s1.
What are the key properties of tert-butyl (2R,4S)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (2R,4S)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 564.31 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4S)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11786341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).