methyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate

C20H41NO3Sn — CID 11294174

IUPACmethyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)[C@H]1OC[C@H](C(C)C)N1C(=O)OC
InChIInChI=1S/C8H14NO3.3C4H9.Sn/c1-6(2)7-4-12-5-9(7)8(10)11-3;3*1-3-4-2;/h5-7H,4H2,1-3H3;3*1,3-4H2,2H3;/t7-;;;;/m1..../s1
InChIKeyMHYPISWVYBAXCX-GITXNKFESA-N
MW462.26 g/mol
LogP5.82
Rot. Bonds11

About methyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate

methyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11294174) has the molecular formula C20H41NO3Sn and a molecular weight of 462.26 g/mol. Its IUPAC name is methyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate
PubChem CID11294174
Molecular FormulaC20H41NO3Sn
Molecular Weight462.26 g/mol
Exact Mass463.21
IUPAC Namemethyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)[C@H]1OC[C@H](C(C)C)N1C(=O)OC
InChIInChI=1S/C8H14NO3.3C4H9.Sn/c1-6(2)7-4-12-5-9(7)8(10)11-3;3*1-3-4-2;/h5-7H,4H2,1-3H3;3*1,3-4H2,2H3;/t7-;;;;/m1..../s1
InChIKeyMHYPISWVYBAXCX-GITXNKFESA-N
XLogP5.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.26
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

US10214537, Example 158
CID 57765494
(4S)-3-hept-1-ynyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11481480
lithium (4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-one
CID 10261139
(4S)-3-methyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11355536
(4R)-3-methyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 58484579
(4S)-4-tert-butyl-3-methyl-1,3-oxazolidin-2-one
CID 132182260
(4S)-3-ethynyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11205875
(4R)-3-(2-methylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14433102
tert-butyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
CID 15426266
5-[[Bis(2-methylpropyl)amino]methyl]-3-butan-2-yl-1,3-oxazolidin-2-one
CID 3040568
Methyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate
CID 11166048
tert-butyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate
CID 11179636

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of methyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate (CID 11294174) is methyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for methyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for methyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate is CCCC[Sn](CCCC)(CCCC)[C@H]1OC[C@H](C(C)C)N1C(=O)OC.
What is the InChIKey of methyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is MHYPISWVYBAXCX-GITXNKFESA-N. The full InChI is InChI=1S/C8H14NO3.3C4H9.Sn/c1-6(2)7-4-12-5-9(7)8(10)11-3;3*1-3-4-2;/h5-7H,4H2,1-3H3;3*1,3-4H2,2H3;/t7-;;;;/m1..../s1.
What are the key properties of methyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate?
methyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 462.26 g/mol, XLogP of 5.82, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11294174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).