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

C14H20N6O — CID 111192634

IUPAC1-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\Cc1nc(C)no1)NCCc1ccccn1
InChIInChI=1S/C14H20N6O/c1-3-15-14(18-10-13-19-11(2)20-21-13)17-9-7-12-6-4-5-8-16-12/h4-6,8H,3,7,9-10H2,1-2H3,(H2,15,17,18)
InChIKeyLSASTXPUQJWNON-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.07
Rot. Bonds6

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

1-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111192634) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine
PubChem CID111192634
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name1-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\Cc1nc(C)no1)NCCc1ccccn1
InChIInChI=1S/C14H20N6O/c1-3-15-14(18-10-13-19-11(2)20-21-13)17-9-7-12-6-4-5-8-16-12/h4-6,8H,3,7,9-10H2,1-2H3,(H2,15,17,18)
InChIKeyLSASTXPUQJWNON-UHFFFAOYSA-N
XLogP1.07
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.07
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-ethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110969252
1-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-phenylethyl)guanidine
CID 111134499
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 111361857
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 111354602
1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
1-ethyl-2-[(2-ethylphenyl)methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111636107
1-ethyl-2-[(5-methylthiophen-2-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194293
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine;hydroiodide
CID 111339518
1-ethyl-3-[2-(3-fluorophenyl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 111395445
1-ethyl-2-(naphthalen-2-ylmethyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111191622
1-ethyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111360508
1-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111193324

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine (CID 111192634) is 1-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine is CCN/C(=N\Cc1nc(C)no1)NCCc1ccccn1.
What is the InChIKey of 1-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is LSASTXPUQJWNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-3-15-14(18-10-13-19-11(2)20-21-13)17-9-7-12-6-4-5-8-16-12/h4-6,8H,3,7,9-10H2,1-2H3,(H2,15,17,18).
What are the key properties of 1-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine?
1-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 288.36 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111192634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).