1-(3-ethylphenyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine

C19H20N4O — CID 111078093

IUPAC1-(3-ethylphenyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
SMILESCCc1cccc(N/C(N)=N/Cc2cc(-c3ccccc3)on2)c1
InChIInChI=1S/C19H20N4O/c1-2-14-7-6-10-16(11-14)22-19(20)21-13-17-12-18(24-23-17)15-8-4-3-5-9-15/h3-12H,2,13H2,1H3,(H3,20,21,22)
InChIKeyXCYHPSYLSGTSIH-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.83
Rot. Bonds5

About 1-(3-ethylphenyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine

1-(3-ethylphenyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine (PubChem CID 111078093) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
PubChem CID111078093
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-(3-ethylphenyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
SMILESCCc1cccc(N/C(N)=N/Cc2cc(-c3ccccc3)on2)c1
InChIInChI=1S/C19H20N4O/c1-2-14-7-6-10-16(11-14)22-19(20)21-13-17-12-18(24-23-17)15-8-4-3-5-9-15/h3-12H,2,13H2,1H3,(H3,20,21,22)
InChIKeyXCYHPSYLSGTSIH-UHFFFAOYSA-N
XLogP3.83
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
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-phenyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 110927486
1-(3-methylphenyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 111078048
2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111078091
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 111078128
N-(3-ethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285951
1-butan-2-yl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 110927490
1-(3-ethylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
CID 119120632
1-(2-methylpropyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111078067
1-(3-ethylphenyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111026478
1-hexyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 111078074
1-(3-ethylphenyl)-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111026477
1,1-diethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 111078072

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine?
The IUPAC name of 1-(3-ethylphenyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine (CID 111078093) is 1-(3-ethylphenyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine.
What is the SMILES notation for 1-(3-ethylphenyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine?
The canonical SMILES for 1-(3-ethylphenyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine is CCc1cccc(N/C(N)=N/Cc2cc(-c3ccccc3)on2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine?
The InChIKey is XCYHPSYLSGTSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-14-7-6-10-16(11-14)22-19(20)21-13-17-12-18(24-23-17)15-8-4-3-5-9-15/h3-12H,2,13H2,1H3,(H3,20,21,22).
What are the key properties of 1-(3-ethylphenyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine?
1-(3-ethylphenyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine has a molecular weight of 320.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine is sourced from PubChem (CID 111078093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).