2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylguanidine

C18H18N4O — CID 111498146

IUPAC2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylguanidine
SMILESCc1ccc(-c2nc(C/N=C(\N)Nc3ccccc3)co2)cc1
InChIInChI=1S/C18H18N4O/c1-13-7-9-14(10-8-13)17-21-16(12-23-17)11-20-18(19)22-15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H3,19,20,22)
InChIKeyXGGGRFCGBYFESG-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.58
Rot. Bonds4

About 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylguanidine

2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylguanidine (PubChem CID 111498146) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylguanidine
PubChem CID111498146
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylguanidine
SMILESCc1ccc(-c2nc(C/N=C(\N)Nc3ccccc3)co2)cc1
InChIInChI=1S/C18H18N4O/c1-13-7-9-14(10-8-13)17-21-16(12-23-17)11-20-18(19)22-15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H3,19,20,22)
InChIKeyXGGGRFCGBYFESG-UHFFFAOYSA-N
XLogP3.58
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.58
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-(4-methylphenyl)-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine;hydroiodide
CID 111813929
1-(3-methoxyphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111809385
1-(1-methoxypropan-2-yl)-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine;hydroiodide
CID 111813905
2-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111095193
1-(3-methylbutyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111809343
2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine
CID 62848306
2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide
CID 111073641
1-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 62072214
N-[2-[[N-ethyl-N'-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111590978
N'-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111813933
2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111817684
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-methylphenyl)guanidine
CID 111076145

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylguanidine?
The IUPAC name of 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylguanidine (CID 111498146) is 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylguanidine.
What is the SMILES notation for 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylguanidine?
The canonical SMILES for 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylguanidine is Cc1ccc(-c2nc(C/N=C(\N)Nc3ccccc3)co2)cc1.
What is the InChIKey of 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylguanidine?
The InChIKey is XGGGRFCGBYFESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-7-9-14(10-8-13)17-21-16(12-23-17)11-20-18(19)22-15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H3,19,20,22).
What are the key properties of 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylguanidine?
2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylguanidine has a molecular weight of 306.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylguanidine is sourced from PubChem (CID 111498146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).