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

C23H47NO3Sn — CID 11179636

IUPACtert-butyl (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(C)(C)C
InChIInChI=1S/C11H20NO3.3C4H9.Sn/c1-8(2)9-6-14-7-12(9)10(13)15-11(3,4)5;3*1-3-4-2;/h7-9H,6H2,1-5H3;3*1,3-4H2,2H3;/t9-;;;;/m1..../s1
InChIKeyNITQKYKVRRLEKK-RASHCQHBSA-N
MW504.34 g/mol
LogP6.99
Rot. Bonds11

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

tert-butyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11179636) has the molecular formula C23H47NO3Sn and a molecular weight of 504.34 g/mol. Its IUPAC name is tert-butyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate
PubChem CID11179636
Molecular FormulaC23H47NO3Sn
Molecular Weight504.34 g/mol
Exact Mass505.26
IUPAC Nametert-butyl (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(C)(C)C
InChIInChI=1S/C11H20NO3.3C4H9.Sn/c1-8(2)9-6-14-7-12(9)10(13)15-11(3,4)5;3*1-3-4-2;/h7-9H,6H2,1-5H3;3*1,3-4H2,2H3;/t9-;;;;/m1..../s1
InChIKeyNITQKYKVRRLEKK-RASHCQHBSA-N
XLogP6.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.34
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

US10214537, Example 158
CID 57765494
tert-butyl (4S)-4-propan-2-yl-2-sulfanylidene-1,3-oxazolidine-3-carboxylate
CID 139221159
(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)-3,5,5-trimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 58967527
tert-butyl (4R)-4-(1-fluoro-1-methylethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67157475
tert-butyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
CID 15426266
Tert-butyl 4-ethyl-2-oxo-1,3-oxazolidine-3-carboxylate
CID 101022671
5-[[Bis(2-methylpropyl)amino]methyl]-3-butan-2-yl-1,3-oxazolidin-2-one
CID 3040568
tert-butyl (2S,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate
CID 11225872
Tert-butyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate
CID 11259751
methyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate
CID 11294174

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate (CID 11179636) is tert-butyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (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(C)(C)C.
What is the InChIKey of tert-butyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is NITQKYKVRRLEKK-RASHCQHBSA-N. The full InChI is InChI=1S/C11H20NO3.3C4H9.Sn/c1-8(2)9-6-14-7-12(9)10(13)15-11(3,4)5;3*1-3-4-2;/h7-9H,6H2,1-5H3;3*1,3-4H2,2H3;/t9-;;;;/m1..../s1.
What are the key properties of tert-butyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (2R,4S)-4-propan-2-yl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 504.34 g/mol, XLogP of 6.99, 11 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-tributylstannyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11179636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).