tributyl-[2-[4-(1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]stannane

C28H37N3OSn — CID 68826898

IUPACtributyl-[2-[4-(1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc2nc(-c3ccc(-c4cnco4)cc3)cn2c1
InChIInChI=1S/C16H10N3O.3C4H9.Sn/c1-2-8-19-10-14(18-16(19)3-1)12-4-6-13(7-5-12)15-9-17-11-20-15;3*1-3-4-2;/h1,3-11H;3*1,3-4H2,2H3;
InChIKeyGCCNZDXSBQMAHM-UHFFFAOYSA-N
MW550.34 g/mol
LogP7.71
Rot. Bonds12

About tributyl-[2-[4-(1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]stannane

tributyl-[2-[4-(1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]stannane (PubChem CID 68826898) has the molecular formula C28H37N3OSn and a molecular weight of 550.34 g/mol. Its IUPAC name is tributyl-[2-[4-(1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]stannane.

Molecular Properties

Compound Nametributyl-[2-[4-(1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]stannane
PubChem CID68826898
Molecular FormulaC28H37N3OSn
Molecular Weight550.34 g/mol
Exact Mass551.20
IUPAC Nametributyl-[2-[4-(1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc2nc(-c3ccc(-c4cnco4)cc3)cn2c1
InChIInChI=1S/C16H10N3O.3C4H9.Sn/c1-2-8-19-10-14(18-16(19)3-1)12-4-6-13(7-5-12)15-9-17-11-20-15;3*1-3-4-2;/h1,3-11H;3*1,3-4H2,2H3;
InChIKeyGCCNZDXSBQMAHM-UHFFFAOYSA-N
XLogP7.71
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.34
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tributyl-[2-[4-(1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]stannane 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 tributyl-[2-[4-(1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]stannane?
The IUPAC name of tributyl-[2-[4-(1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]stannane (CID 68826898) is tributyl-[2-[4-(1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]stannane.
What is the SMILES notation for tributyl-[2-[4-(1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]stannane?
The canonical SMILES for tributyl-[2-[4-(1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1ccc2nc(-c3ccc(-c4cnco4)cc3)cn2c1.
What is the InChIKey of tributyl-[2-[4-(1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]stannane?
The InChIKey is GCCNZDXSBQMAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N3O.3C4H9.Sn/c1-2-8-19-10-14(18-16(19)3-1)12-4-6-13(7-5-12)15-9-17-11-20-15;3*1-3-4-2;/h1,3-11H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[2-[4-(1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]stannane?
tributyl-[2-[4-(1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]stannane has a molecular weight of 550.34 g/mol, XLogP of 7.71, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[2-[4-(1,3-oxazol-5-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]stannane is sourced from PubChem (CID 68826898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).