3-[(E)-3-phenyl-1-tributylstannylprop-1-enyl]-1,3-oxazolidin-2-one

C24H39NO2Sn — CID 177390634

IUPAC3-[(E)-3-phenyl-1-tributylstannylprop-1-enyl]-1,3-oxazolidin-2-one
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/Cc1ccccc1)N1CCOC1=O
InChIInChI=1S/C12H12NO2.3C4H9.Sn/c14-12-13(9-10-15-12)8-4-7-11-5-2-1-3-6-11;3*1-3-4-2;/h1-6H,7,9-10H2;3*1,3-4H2,2H3;
InChIKeyFPZCGPHTDRBIRZ-UHFFFAOYSA-N
MW492.29 g/mol
LogP6.95
Rot. Bonds13

About 3-[(E)-3-phenyl-1-tributylstannylprop-1-enyl]-1,3-oxazolidin-2-one

3-[(E)-3-phenyl-1-tributylstannylprop-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 177390634) has the molecular formula C24H39NO2Sn and a molecular weight of 492.29 g/mol. Its IUPAC name is 3-[(E)-3-phenyl-1-tributylstannylprop-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-3-phenyl-1-tributylstannylprop-1-enyl]-1,3-oxazolidin-2-one
PubChem CID177390634
Molecular FormulaC24H39NO2Sn
Molecular Weight492.29 g/mol
Exact Mass493.20
IUPAC Name3-[(E)-3-phenyl-1-tributylstannylprop-1-enyl]-1,3-oxazolidin-2-one
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/Cc1ccccc1)N1CCOC1=O
InChIInChI=1S/C12H12NO2.3C4H9.Sn/c14-12-13(9-10-15-12)8-4-7-11-5-2-1-3-6-11;3*1-3-4-2;/h1-6H,7,9-10H2;3*1,3-4H2,2H3;
InChIKeyFPZCGPHTDRBIRZ-UHFFFAOYSA-N
XLogP6.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.29
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(E)-3-phenyl-1-tributylstannylprop-1-enyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-phenyl-1-tributylstannylprop-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-3-phenyl-1-tributylstannylprop-1-enyl]-1,3-oxazolidin-2-one (CID 177390634) is 3-[(E)-3-phenyl-1-tributylstannylprop-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-3-phenyl-1-tributylstannylprop-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-3-phenyl-1-tributylstannylprop-1-enyl]-1,3-oxazolidin-2-one is CCCC[Sn](CCCC)(CCCC)/C(=C/Cc1ccccc1)N1CCOC1=O.
What is the InChIKey of 3-[(E)-3-phenyl-1-tributylstannylprop-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is FPZCGPHTDRBIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12NO2.3C4H9.Sn/c14-12-13(9-10-15-12)8-4-7-11-5-2-1-3-6-11;3*1-3-4-2;/h1-6H,7,9-10H2;3*1,3-4H2,2H3;.
What are the key properties of 3-[(E)-3-phenyl-1-tributylstannylprop-1-enyl]-1,3-oxazolidin-2-one?
3-[(E)-3-phenyl-1-tributylstannylprop-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 492.29 g/mol, XLogP of 6.95, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-phenyl-1-tributylstannylprop-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 177390634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).