1-ethyl-2-(3-methylbutyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine

C17H26N6O — CID 111759213

IUPAC1-ethyl-2-(3-methylbutyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CCC(C)C)NCCc1noc(-c2ccccn2)n1
InChIInChI=1S/C17H26N6O/c1-4-18-17(20-11-8-13(2)3)21-12-9-15-22-16(24-23-15)14-7-5-6-10-19-14/h5-7,10,13H,4,8-9,11-12H2,1-3H3,(H2,18,20,21)
InChIKeyCMGVWKVPJUJNDR-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.28
Rot. Bonds8

About 1-ethyl-2-(3-methylbutyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine

1-ethyl-2-(3-methylbutyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine (PubChem CID 111759213) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-ethyl-2-(3-methylbutyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(3-methylbutyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
PubChem CID111759213
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1-ethyl-2-(3-methylbutyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CCC(C)C)NCCc1noc(-c2ccccn2)n1
InChIInChI=1S/C17H26N6O/c1-4-18-17(20-11-8-13(2)3)21-12-9-15-22-16(24-23-15)14-7-5-6-10-19-14/h5-7,10,13H,4,8-9,11-12H2,1-3H3,(H2,18,20,21)
InChIKeyCMGVWKVPJUJNDR-UHFFFAOYSA-N
XLogP2.28
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1,3-diethyl-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111427089
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111767156
2-methyl-1-(7-methyloctyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111762914
1-ethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111765826
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111764793
1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 109419580
1-ethyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111768222
2-methyl-1-(2-pyridin-2-ylethyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111762365
1-ethyl-3-(4-methylcyclohexyl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111764342
2-methyl-1-(3-phenylpropyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111762693
1-(3-ethoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111763267
1-(3-butoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111763941

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-methylbutyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-(3-methylbutyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine (CID 111759213) is 1-ethyl-2-(3-methylbutyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-(3-methylbutyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-(3-methylbutyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine is CCN/C(=N\CCC(C)C)NCCc1noc(-c2ccccn2)n1.
What is the InChIKey of 1-ethyl-2-(3-methylbutyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
The InChIKey is CMGVWKVPJUJNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-4-18-17(20-11-8-13(2)3)21-12-9-15-22-16(24-23-15)14-7-5-6-10-19-14/h5-7,10,13H,4,8-9,11-12H2,1-3H3,(H2,18,20,21).
What are the key properties of 1-ethyl-2-(3-methylbutyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
1-ethyl-2-(3-methylbutyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine has a molecular weight of 330.44 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-methylbutyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine is sourced from PubChem (CID 111759213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).