1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine

C20H26N6O — CID 111553751

IUPAC1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1coc(-c2ccccc2)n1)NCCCc1cn[nH]c1C
InChIInChI=1S/C20H26N6O/c1-3-21-20(22-11-7-10-17-12-24-26-15(17)2)23-13-18-14-27-19(25-18)16-8-5-4-6-9-16/h4-6,8-9,12,14H,3,7,10-11,13H2,1-2H3,(H,24,26)(H2,21,22,23)
InChIKeyRCAFYHPHYIMAQF-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.06
Rot. Bonds8

About 1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine

1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine (PubChem CID 111553751) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
PubChem CID111553751
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1coc(-c2ccccc2)n1)NCCCc1cn[nH]c1C
InChIInChI=1S/C20H26N6O/c1-3-21-20(22-11-7-10-17-12-24-26-15(17)2)23-13-18-14-27-19(25-18)16-8-5-4-6-9-16/h4-6,8-9,12,14H,3,7,10-11,13H2,1-2H3,(H,24,26)(H2,21,22,23)
InChIKeyRCAFYHPHYIMAQF-UHFFFAOYSA-N
XLogP3.06
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111257617
1-(3-anilinopropyl)-3-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111553807
1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(3-phenylpropyl)guanidine
CID 111198662
1-(3-butoxypropyl)-3-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111552941
1-[2-(diethylamino)ethyl]-3-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111554026
1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111553547
1-(2-ethoxyethyl)-3-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111553975
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111553503
1-[2-[butyl(methyl)amino]ethyl]-3-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111981140
1-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2-phenylethyl)guanidine
CID 111135955
1-ethyl-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 111552989
1-ethyl-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-pentylguanidine;hydroiodide
CID 111590136

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine (CID 111553751) is 1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine is CCN/C(=N\Cc1coc(-c2ccccc2)n1)NCCCc1cn[nH]c1C.
What is the InChIKey of 1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine?
The InChIKey is RCAFYHPHYIMAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-3-21-20(22-11-7-10-17-12-24-26-15(17)2)23-13-18-14-27-19(25-18)16-8-5-4-6-9-16/h4-6,8-9,12,14H,3,7,10-11,13H2,1-2H3,(H,24,26)(H2,21,22,23).
What are the key properties of 1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine?
1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine has a molecular weight of 366.47 g/mol, XLogP of 3.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine is sourced from PubChem (CID 111553751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).