tributyl-(2-phenyl-1,3-oxazol-5-yl)stannane

C21H33NOSn — CID 10646461

IUPACtributyl-(2-phenyl-1,3-oxazol-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(-c2ccccc2)o1
InChIInChI=1S/C9H6NO.3C4H9.Sn/c1-2-4-8(5-3-1)9-10-6-7-11-9;3*1-3-4-2;/h1-6H;3*1,3-4H2,2H3;
InChIKeyXHTALNRTSYFJFH-UHFFFAOYSA-N
MW434.21 g/mol
LogP6.40
Rot. Bonds11

About tributyl-(2-phenyl-1,3-oxazol-5-yl)stannane

tributyl-(2-phenyl-1,3-oxazol-5-yl)stannane (PubChem CID 10646461) has the molecular formula C21H33NOSn and a molecular weight of 434.21 g/mol. Its IUPAC name is tributyl-(2-phenyl-1,3-oxazol-5-yl)stannane.

Molecular Properties

Compound Nametributyl-(2-phenyl-1,3-oxazol-5-yl)stannane
PubChem CID10646461
Molecular FormulaC21H33NOSn
Molecular Weight434.21 g/mol
Exact Mass435.16
IUPAC Nametributyl-(2-phenyl-1,3-oxazol-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(-c2ccccc2)o1
InChIInChI=1S/C9H6NO.3C4H9.Sn/c1-2-4-8(5-3-1)9-10-6-7-11-9;3*1-3-4-2;/h1-6H;3*1,3-4H2,2H3;
InChIKeyXHTALNRTSYFJFH-UHFFFAOYSA-N
XLogP6.40
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.21
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-(2-phenyl-1,3-oxazol-5-yl)stannane?
The IUPAC name of tributyl-(2-phenyl-1,3-oxazol-5-yl)stannane (CID 10646461) is tributyl-(2-phenyl-1,3-oxazol-5-yl)stannane.
What is the SMILES notation for tributyl-(2-phenyl-1,3-oxazol-5-yl)stannane?
The canonical SMILES for tributyl-(2-phenyl-1,3-oxazol-5-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cnc(-c2ccccc2)o1.
What is the InChIKey of tributyl-(2-phenyl-1,3-oxazol-5-yl)stannane?
The InChIKey is XHTALNRTSYFJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6NO.3C4H9.Sn/c1-2-4-8(5-3-1)9-10-6-7-11-9;3*1-3-4-2;/h1-6H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(2-phenyl-1,3-oxazol-5-yl)stannane?
tributyl-(2-phenyl-1,3-oxazol-5-yl)stannane has a molecular weight of 434.21 g/mol, XLogP of 6.40, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2-phenyl-1,3-oxazol-5-yl)stannane is sourced from PubChem (CID 10646461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).