benzyl (2R,4R)-4-phenyl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate

C29H43NO3Sn — CID 11330588

IUPACbenzyl (2R,4R)-4-phenyl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)[C@H]1OC[C@@H](c2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C17H16NO3.3C4H9.Sn/c19-17(21-11-14-7-3-1-4-8-14)18-13-20-12-16(18)15-9-5-2-6-10-15;3*1-3-4-2;/h1-10,13,16H,11-12H2;3*1,3-4H2,2H3;/t16-;;;;/m0..../s1
InChIKeyPFHNAIAEYXYTLT-FXAGWRDUSA-N
MW572.38 g/mol
LogP8.11
Rot. Bonds13

About benzyl (2R,4R)-4-phenyl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate

benzyl (2R,4R)-4-phenyl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11330588) has the molecular formula C29H43NO3Sn and a molecular weight of 572.38 g/mol. Its IUPAC name is benzyl (2R,4R)-4-phenyl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,4R)-4-phenyl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate
PubChem CID11330588
Molecular FormulaC29H43NO3Sn
Molecular Weight572.38 g/mol
Exact Mass573.23
IUPAC Namebenzyl (2R,4R)-4-phenyl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)[C@H]1OC[C@@H](c2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C17H16NO3.3C4H9.Sn/c19-17(21-11-14-7-3-1-4-8-14)18-13-20-12-16(18)15-9-5-2-6-10-15;3*1-3-4-2;/h1-10,13,16H,11-12H2;3*1,3-4H2,2H3;/t16-;;;;/m0..../s1
InChIKeyPFHNAIAEYXYTLT-FXAGWRDUSA-N
XLogP8.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.38
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tributyl-[(2R,4R)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane
CID 11237647
benzyl (2R,5R)-2-(2-oxopropyl)-5-phenylpyrrolidine-1-carboxylate
CID 102084079
tributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane
CID 11467439
benzyl 7-propyl-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171951286
ethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 11077224
benzyl 7-tridecanoyl-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171943344
benzyl (3R)-3-(4-bromophenyl)-5-(2-ethoxy-2-oxoethyl)morpholine-4-carboxylate
CID 122428171
benzyl 2-oxo-4-phenylazetidine-1-carboxylate
CID 11323488
benzyl (1R,5S)-7-amino-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 135396085
benzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
CID 138980716
benzyl 3-hexanoyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171938598
1-O-benzyl 2-O,5-O-diethyl (2S,5R)-pyrrolidine-1,2,5-tricarboxylate
CID 126495779

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,4R)-4-phenyl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (2R,4R)-4-phenyl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate (CID 11330588) is benzyl (2R,4R)-4-phenyl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (2R,4R)-4-phenyl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (2R,4R)-4-phenyl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate is CCCC[Sn](CCCC)(CCCC)[C@H]1OC[C@@H](c2ccccc2)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R,4R)-4-phenyl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is PFHNAIAEYXYTLT-FXAGWRDUSA-N. The full InChI is InChI=1S/C17H16NO3.3C4H9.Sn/c19-17(21-11-14-7-3-1-4-8-14)18-13-20-12-16(18)15-9-5-2-6-10-15;3*1-3-4-2;/h1-10,13,16H,11-12H2;3*1,3-4H2,2H3;/t16-;;;;/m0..../s1.
What are the key properties of benzyl (2R,4R)-4-phenyl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate?
benzyl (2R,4R)-4-phenyl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 572.38 g/mol, XLogP of 8.11, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,4R)-4-phenyl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11330588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).