tributyl-(4,5-dimethyl-1,3-oxazol-2-yl)stannane

C17H33NOSn — CID 53485383

IUPACtributyl-(4,5-dimethyl-1,3-oxazol-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nc(C)c(C)o1
InChIInChI=1S/C5H6NO.3C4H9.Sn/c1-4-5(2)7-3-6-4;3*1-3-4-2;/h1-2H3;3*1,3-4H2,2H3;
InChIKeyYGYUKFYZLJREFR-UHFFFAOYSA-N
MW386.17 g/mol
LogP5.35
Rot. Bonds10

About tributyl-(4,5-dimethyl-1,3-oxazol-2-yl)stannane

tributyl-(4,5-dimethyl-1,3-oxazol-2-yl)stannane (PubChem CID 53485383) has the molecular formula C17H33NOSn and a molecular weight of 386.17 g/mol. Its IUPAC name is tributyl-(4,5-dimethyl-1,3-oxazol-2-yl)stannane.

Molecular Properties

Compound Nametributyl-(4,5-dimethyl-1,3-oxazol-2-yl)stannane
PubChem CID53485383
Molecular FormulaC17H33NOSn
Molecular Weight386.17 g/mol
Exact Mass387.16
IUPAC Nametributyl-(4,5-dimethyl-1,3-oxazol-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nc(C)c(C)o1
InChIInChI=1S/C5H6NO.3C4H9.Sn/c1-4-5(2)7-3-6-4;3*1-3-4-2;/h1-2H3;3*1,3-4H2,2H3;
InChIKeyYGYUKFYZLJREFR-UHFFFAOYSA-N
XLogP5.35
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.17
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-Trimethyloxazole
CID 30215
2-Ethyl-4,5-dimethyloxazole
CID 62069
4,5-Dimethyl-2-propyloxazole
CID 104620
2-Isopropyl-4,5-dimethyloxazole
CID 29644
2-Bromo-4,5-dimethyl-1,3-oxazole
CID 22087321
2-Chloro-4,5-dimethyl-1,3-oxazole hydrochloride
CID 145874284
4,5-Dimethyl-2-methoxyoxazole
CID 129783635
2-Chloro-4,5-dimethyloxazole
CID 23443442
4-(Fluoromethyl)-2,5-dimethyl-1,3-oxazole
CID 89058861
5-(Fluoromethyl)-2,4-dimethyl-1,3-oxazole
CID 118085995
2,5-Dimethyl-4-(trifluoromethyl)-1,3-oxazole;ethane
CID 142085256
2,4-Dimethyl-5-(trifluoromethyl)-1,3-oxazole;ethane
CID 144000826

Frequently Asked Questions

What is the IUPAC name of tributyl-(4,5-dimethyl-1,3-oxazol-2-yl)stannane?
The IUPAC name of tributyl-(4,5-dimethyl-1,3-oxazol-2-yl)stannane (CID 53485383) is tributyl-(4,5-dimethyl-1,3-oxazol-2-yl)stannane.
What is the SMILES notation for tributyl-(4,5-dimethyl-1,3-oxazol-2-yl)stannane?
The canonical SMILES for tributyl-(4,5-dimethyl-1,3-oxazol-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1nc(C)c(C)o1.
What is the InChIKey of tributyl-(4,5-dimethyl-1,3-oxazol-2-yl)stannane?
The InChIKey is YGYUKFYZLJREFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6NO.3C4H9.Sn/c1-4-5(2)7-3-6-4;3*1-3-4-2;/h1-2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(4,5-dimethyl-1,3-oxazol-2-yl)stannane?
tributyl-(4,5-dimethyl-1,3-oxazol-2-yl)stannane has a molecular weight of 386.17 g/mol, XLogP of 5.35, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(4,5-dimethyl-1,3-oxazol-2-yl)stannane is sourced from PubChem (CID 53485383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).