N-methyl-4-(6-tributylstannyl-1,3-benzoxazol-2-yl)aniline

C26H38N2OSn — CID 20625606

IUPACN-methyl-4-(6-tributylstannyl-1,3-benzoxazol-2-yl)aniline
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc2nc(-c3ccc(NC)cc3)oc2c1
InChIInChI=1S/C14H11N2O.3C4H9.Sn/c1-15-11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14;3*1-3-4-2;/h2,4-9,15H,1H3;3*1,3-4H2,2H3;
InChIKeyZDGIXULYGPEBEZ-UHFFFAOYSA-N
MW513.31 g/mol
LogP7.59
Rot. Bonds12

About N-methyl-4-(6-tributylstannyl-1,3-benzoxazol-2-yl)aniline

N-methyl-4-(6-tributylstannyl-1,3-benzoxazol-2-yl)aniline (PubChem CID 20625606) has the molecular formula C26H38N2OSn and a molecular weight of 513.31 g/mol. Its IUPAC name is N-methyl-4-(6-tributylstannyl-1,3-benzoxazol-2-yl)aniline.

Molecular Properties

Compound NameN-methyl-4-(6-tributylstannyl-1,3-benzoxazol-2-yl)aniline
PubChem CID20625606
Molecular FormulaC26H38N2OSn
Molecular Weight513.31 g/mol
Exact Mass514.20
IUPAC NameN-methyl-4-(6-tributylstannyl-1,3-benzoxazol-2-yl)aniline
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc2nc(-c3ccc(NC)cc3)oc2c1
InChIInChI=1S/C14H11N2O.3C4H9.Sn/c1-15-11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14;3*1-3-4-2;/h2,4-9,15H,1H3;3*1,3-4H2,2H3;
InChIKeyZDGIXULYGPEBEZ-UHFFFAOYSA-N
XLogP7.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.31
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(methylamino)phenyl]-6-tributylstannylchromen-2-one
CID 86245317
4-[6-(3-fluoropropoxy)-1,3-benzoxazol-2-yl]-N-methylaniline
CID 144970941
tributyl-[2-[(E)-2-phenylethenyl]-1,3-benzoxazol-6-yl]stannane
CID 177401791
4-(6-butoxy-1,3-benzoxazol-2-yl)aniline
CID 129018379
2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine
CID 91682504
6-butyl-2-(3,5-dichlorophenyl)-1,3-benzoxazole
CID 163207320
2-[4-(6-chloro-1,3-benzoxazol-2-yl)anilino]ethanol
CID 81433846
N-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline
CID 25211761
(2S)-1-[[2-[4-(methylamino)phenyl]-1,3-benzoxazol-5-yl]oxy]butan-2-ol
CID 129018172
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17100800
N,N-dimethyl-2-[4-(methylamino)phenyl]-[1,3]oxazolo[5,4-b]pyridin-5-amine
CID 44554802

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(6-tributylstannyl-1,3-benzoxazol-2-yl)aniline?
The IUPAC name of N-methyl-4-(6-tributylstannyl-1,3-benzoxazol-2-yl)aniline (CID 20625606) is N-methyl-4-(6-tributylstannyl-1,3-benzoxazol-2-yl)aniline.
What is the SMILES notation for N-methyl-4-(6-tributylstannyl-1,3-benzoxazol-2-yl)aniline?
The canonical SMILES for N-methyl-4-(6-tributylstannyl-1,3-benzoxazol-2-yl)aniline is CCCC[Sn](CCCC)(CCCC)c1ccc2nc(-c3ccc(NC)cc3)oc2c1.
What is the InChIKey of N-methyl-4-(6-tributylstannyl-1,3-benzoxazol-2-yl)aniline?
The InChIKey is ZDGIXULYGPEBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N2O.3C4H9.Sn/c1-15-11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14;3*1-3-4-2;/h2,4-9,15H,1H3;3*1,3-4H2,2H3;.
What are the key properties of N-methyl-4-(6-tributylstannyl-1,3-benzoxazol-2-yl)aniline?
N-methyl-4-(6-tributylstannyl-1,3-benzoxazol-2-yl)aniline has a molecular weight of 513.31 g/mol, XLogP of 7.59, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(6-tributylstannyl-1,3-benzoxazol-2-yl)aniline is sourced from PubChem (CID 20625606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).