[(1S,2S)-2,5-bis(dibenzylamino)-1-tributylstannylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C53H77N3O3Sn — CID 134905626

IUPAC[(1S,2S)-2,5-bis(dibenzylamino)-1-tributylstannylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)[C@H](OC(=O)N1C(C)(C)COC1(C)C)[C@H](CCCN(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C41H50N3O3.3C4H9.Sn/c1-40(2)33-47-41(3,4)44(40)39(45)46-32-38(43(30-36-22-13-7-14-23-36)31-37-24-15-8-16-25-37)26-17-27-42(28-34-18-9-5-10-19-34)29-35-20-11-6-12-21-35;3*1-3-4-2;/h5-16,18-25,32,38H,17,26-31,33H2,1-4H3;3*1,3-4H2,2H3;/t38-;;;;/m0..../s1
InChIKeyMZQUUMUIMBARDE-LZMOYPEXSA-N
MW922.93 g/mol
LogP13.28
Rot. Bonds25

About [(1S,2S)-2,5-bis(dibenzylamino)-1-tributylstannylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

[(1S,2S)-2,5-bis(dibenzylamino)-1-tributylstannylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134905626) has the molecular formula C53H77N3O3Sn and a molecular weight of 922.93 g/mol. Its IUPAC name is [(1S,2S)-2,5-bis(dibenzylamino)-1-tributylstannylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(1S,2S)-2,5-bis(dibenzylamino)-1-tributylstannylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID134905626
Molecular FormulaC53H77N3O3Sn
Molecular Weight922.93 g/mol
Exact Mass923.50
IUPAC Name[(1S,2S)-2,5-bis(dibenzylamino)-1-tributylstannylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)[C@H](OC(=O)N1C(C)(C)COC1(C)C)[C@H](CCCN(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C41H50N3O3.3C4H9.Sn/c1-40(2)33-47-41(3,4)44(40)39(45)46-32-38(43(30-36-22-13-7-14-23-36)31-37-24-15-8-16-25-37)26-17-27-42(28-34-18-9-5-10-19-34)29-35-20-11-6-12-21-35;3*1-3-4-2;/h5-16,18-25,32,38H,17,26-31,33H2,1-4H3;3*1,3-4H2,2H3;/t38-;;;;/m0..../s1
InChIKeyMZQUUMUIMBARDE-LZMOYPEXSA-N
XLogP13.28
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.93
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2,5-bis(dibenzylamino)-1-tributylstannylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(1S,2S)-2,5-bis(dibenzylamino)-1-tributylstannylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 134905626) is [(1S,2S)-2,5-bis(dibenzylamino)-1-tributylstannylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(1S,2S)-2,5-bis(dibenzylamino)-1-tributylstannylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(1S,2S)-2,5-bis(dibenzylamino)-1-tributylstannylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CCCC[Sn](CCCC)(CCCC)[C@H](OC(=O)N1C(C)(C)COC1(C)C)[C@H](CCCN(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [(1S,2S)-2,5-bis(dibenzylamino)-1-tributylstannylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is MZQUUMUIMBARDE-LZMOYPEXSA-N. The full InChI is InChI=1S/C41H50N3O3.3C4H9.Sn/c1-40(2)33-47-41(3,4)44(40)39(45)46-32-38(43(30-36-22-13-7-14-23-36)31-37-24-15-8-16-25-37)26-17-27-42(28-34-18-9-5-10-19-34)29-35-20-11-6-12-21-35;3*1-3-4-2;/h5-16,18-25,32,38H,17,26-31,33H2,1-4H3;3*1,3-4H2,2H3;/t38-;;;;/m0..../s1.
What are the key properties of [(1S,2S)-2,5-bis(dibenzylamino)-1-tributylstannylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(1S,2S)-2,5-bis(dibenzylamino)-1-tributylstannylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 922.93 g/mol, XLogP of 13.28, 25 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2,5-bis(dibenzylamino)-1-tributylstannylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134905626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).