tributyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]stannane

C24H41NOSn — CID 23279681

About tributyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]stannane

tributyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]stannane (PubChem CID 23279681) has the molecular formula C24H41NOSn and a molecular weight of 478.31 g/mol. Its IUPAC name is tributyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]stannane.

Molecular Properties

• Compound Name: tributyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]stannane
• PubChem CID: 23279681
• Molecular Formula: C24H41NOSn
• Molecular Weight: 478.31 g/mol
• Exact Mass: 479.22
• IUPAC Name: tributyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]stannane
• SMILES: CCCC[Sn](CCCC)(CCCC)c1ccccc1C1=NC(C(C)C)CO1
• InChI: InChI=1S/C12H14NO.3C4H9.Sn/c1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;3*1-3-4-2;/h3-6,9,11H,8H2,1-2H3;3*1,3-4H2,2H3
• InChIKey: AZUZZXCNMRNWIO-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 21.59 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.31
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of tributyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]stannane?

The IUPAC name of tributyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]stannane (CID 23279681) is tributyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]stannane.

What is the SMILES notation for tributyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]stannane?

The canonical SMILES for tributyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]stannane is CCCC[Sn](CCCC)(CCCC)c1ccccc1C1=NC(C(C)C)CO1.

What is the InChIKey of tributyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]stannane?

The InChIKey is AZUZZXCNMRNWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14NO.3C4H9.Sn/c1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;3*1-3-4-2;/h3-6,9,11H,8H2,1-2H3;3*1,3-4H2,2H3;.

What are the key properties of tributyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]stannane?

tributyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]stannane has a molecular weight of 478.31 g/mol, XLogP of 6.54, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tributyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]stannane is sourced from PubChem (CID 23279681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).