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

C18H24N6O — CID 111602321

IUPAC1-ethyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1noc(C)n1)NCCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C18H24N6O/c1-4-19-18(21-11-17-23-13(3)25-24-17)20-10-9-14-12(2)22-16-8-6-5-7-15(14)16/h5-8,22H,4,9-11H2,1-3H3,(H2,19,20,21)
InChIKeyZFMZYPLETVATMP-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.47
Rot. Bonds6

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

1-ethyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine (PubChem CID 111602321) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
PubChem CID111602321
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name1-ethyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1noc(C)n1)NCCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C18H24N6O/c1-4-19-18(21-11-17-23-13(3)25-24-17)20-10-9-14-12(2)22-16-8-6-5-7-15(14)16/h5-8,22H,4,9-11H2,1-3H3,(H2,19,20,21)
InChIKeyZFMZYPLETVATMP-UHFFFAOYSA-N
XLogP2.47
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111601939
1-ethyl-2-(2-methoxyethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 110941363
1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111601839
1-ethyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111377103
1,3-diethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111465113
2-(2,2-diethyl-4-hydroxybutyl)-1-ethyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111716540
1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111602077
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111399444
1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111602043
1-ethyl-3-(3-methylbutyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111602340
1-ethyl-3-[3-(N-ethylanilino)propyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111602121
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide
CID 111095471

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine (CID 111602321) is 1-ethyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine is CCN/C(=N\Cc1noc(C)n1)NCCc1c(C)[nH]c2ccccc12.
What is the InChIKey of 1-ethyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine?
The InChIKey is ZFMZYPLETVATMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-4-19-18(21-11-17-23-13(3)25-24-17)20-10-9-14-12(2)22-16-8-6-5-7-15(14)16/h5-8,22H,4,9-11H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-ethyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine?
1-ethyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine has a molecular weight of 340.43 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine is sourced from PubChem (CID 111602321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).