2-[2-(5-tributylstannyl-1,2-oxazol-3-yl)ethyl]guanidine

C18H36N4OSn — CID 140619507

IUPAC2-[2-(5-tributylstannyl-1,2-oxazol-3-yl)ethyl]guanidine
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(CCN=C(N)N)no1
InChIInChI=1S/C6H9N4O.3C4H9.Sn/c7-6(8)9-3-1-5-2-4-11-10-5;3*1-3-4-2;/h2H,1,3H2,(H4,7,8,9);3*1,3-4H2,2H3;
InChIKeyAQPQZYITXGSQAP-UHFFFAOYSA-N
MW443.22 g/mol
LogP3.55
Rot. Bonds13

About 2-[2-(5-tributylstannyl-1,2-oxazol-3-yl)ethyl]guanidine

2-[2-(5-tributylstannyl-1,2-oxazol-3-yl)ethyl]guanidine (PubChem CID 140619507) has the molecular formula C18H36N4OSn and a molecular weight of 443.22 g/mol. Its IUPAC name is 2-[2-(5-tributylstannyl-1,2-oxazol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(5-tributylstannyl-1,2-oxazol-3-yl)ethyl]guanidine
PubChem CID140619507
Molecular FormulaC18H36N4OSn
Molecular Weight443.22 g/mol
Exact Mass444.19
IUPAC Name2-[2-(5-tributylstannyl-1,2-oxazol-3-yl)ethyl]guanidine
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(CCN=C(N)N)no1
InChIInChI=1S/C6H9N4O.3C4H9.Sn/c7-6(8)9-3-1-5-2-4-11-10-5;3*1-3-4-2;/h2H,1,3H2,(H4,7,8,9);3*1,3-4H2,2H3;
InChIKeyAQPQZYITXGSQAP-UHFFFAOYSA-N
XLogP3.55
TPSA90.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.22
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(3E)-3-hydroxyiminopropyl]guanidine;2-[2-(5-tributylstannyl-1,2-oxazol-3-yl)ethyl]guanidine
CID 172917922
tributyl-(3-methyl-1,2-oxazol-5-yl)stannane
CID 2763255
3-propyl-1,2-oxazole-5-carboxamide
CID 45117964
2-[[3-[3-(4-butan-2-ylphenyl)propyl-dibutylstannyl]phenyl]methyl]guanidine
CID 152843735
2-[2-(4-pentoxyphenyl)ethyl]guanidine
CID 161155288
3-butyl-5-methyl-1,2-oxazole
CID 19872036
3-octyl-1,2-oxazol-5-amine
CID 65427877
ethane;2-methyl-3H-pyrrole;2-propylguanidine
CID 159963650
1-(3-butyl-1,2-oxazol-5-yl)ethanamine
CID 114420285
3,5-dipentyl-1,2-oxazole
CID 66668490
2-[3-(1,2-oxazol-3-yl)propyl]guanidine
CID 142630694
3-propyl-1,2-oxazol-5-amine
CID 2104061

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-tributylstannyl-1,2-oxazol-3-yl)ethyl]guanidine?
The IUPAC name of 2-[2-(5-tributylstannyl-1,2-oxazol-3-yl)ethyl]guanidine (CID 140619507) is 2-[2-(5-tributylstannyl-1,2-oxazol-3-yl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(5-tributylstannyl-1,2-oxazol-3-yl)ethyl]guanidine?
The canonical SMILES for 2-[2-(5-tributylstannyl-1,2-oxazol-3-yl)ethyl]guanidine is CCCC[Sn](CCCC)(CCCC)c1cc(CCN=C(N)N)no1.
What is the InChIKey of 2-[2-(5-tributylstannyl-1,2-oxazol-3-yl)ethyl]guanidine?
The InChIKey is AQPQZYITXGSQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N4O.3C4H9.Sn/c7-6(8)9-3-1-5-2-4-11-10-5;3*1-3-4-2;/h2H,1,3H2,(H4,7,8,9);3*1,3-4H2,2H3;.
What are the key properties of 2-[2-(5-tributylstannyl-1,2-oxazol-3-yl)ethyl]guanidine?
2-[2-(5-tributylstannyl-1,2-oxazol-3-yl)ethyl]guanidine has a molecular weight of 443.22 g/mol, XLogP of 3.55, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-tributylstannyl-1,2-oxazol-3-yl)ethyl]guanidine is sourced from PubChem (CID 140619507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).