1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine

C23H24FN5O — CID 111972634

IUPAC1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1cc(-c2ccccc2)on1)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C23H24FN5O/c1-2-25-23(26-11-10-17-14-27-21-9-8-18(24)12-20(17)21)28-15-19-13-22(30-29-19)16-6-4-3-5-7-16/h3-9,12-14,27H,2,10-11,15H2,1H3,(H2,25,26,28)
InChIKeyGAFHCVKZJPXMNJ-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.26
Rot. Bonds7

About 1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine

1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine (PubChem CID 111972634) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
PubChem CID111972634
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1cc(-c2ccccc2)on1)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C23H24FN5O/c1-2-25-23(26-11-10-17-14-27-21-9-8-18(24)12-20(17)21)28-15-19-13-22(30-29-19)16-6-4-3-5-7-16/h3-9,12-14,27H,2,10-11,15H2,1H3,(H2,25,26,28)
InChIKeyGAFHCVKZJPXMNJ-UHFFFAOYSA-N
XLogP4.26
TPSA78.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.26
H-Bond Donors ≤ 53
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

1-ethyl-3-[2-(3-fluorophenyl)ethyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111396219
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 111973266
1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(4-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111989106
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 109407293
2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 111972914
1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[[2-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111973459
1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(isoquinolin-1-ylmethyl)guanidine;hydroiodide
CID 111972617
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 111972180
1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111972188
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110971241
1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(2-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 109418477
1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(quinolin-8-ylmethyl)guanidine
CID 111972506

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine (CID 111972634) is 1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine is CCN/C(=N\Cc1cc(-c2ccccc2)on1)NCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine?
The InChIKey is GAFHCVKZJPXMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-2-25-23(26-11-10-17-14-27-21-9-8-18(24)12-20(17)21)28-15-19-13-22(30-29-19)16-6-4-3-5-7-16/h3-9,12-14,27H,2,10-11,15H2,1H3,(H2,25,26,28).
What are the key properties of 1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine?
1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine has a molecular weight of 405.48 g/mol, XLogP of 4.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine is sourced from PubChem (CID 111972634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).