1-tert-butyl-3-ethyl-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]guanidine

C18H26N4O — CID 111547089

IUPAC1-tert-butyl-3-ethyl-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]guanidine
SMILESCCN/C(=N\Cc1ncc(-c2ccc(C)cc2)o1)NC(C)(C)C
InChIInChI=1S/C18H26N4O/c1-6-19-17(22-18(3,4)5)21-12-16-20-11-15(23-16)14-9-7-13(2)8-10-14/h7-11H,6,12H2,1-5H3,(H2,19,21,22)
InChIKeySUXFGUPKRABEKY-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.50
Rot. Bonds4

About 1-tert-butyl-3-ethyl-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]guanidine

1-tert-butyl-3-ethyl-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]guanidine (PubChem CID 111547089) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-tert-butyl-3-ethyl-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-3-ethyl-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]guanidine
PubChem CID111547089
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-tert-butyl-3-ethyl-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]guanidine
SMILESCCN/C(=N\Cc1ncc(-c2ccc(C)cc2)o1)NC(C)(C)C
InChIInChI=1S/C18H26N4O/c1-6-19-17(22-18(3,4)5)21-12-16-20-11-15(23-16)14-9-7-13(2)8-10-14/h7-11H,6,12H2,1-5H3,(H2,19,21,22)
InChIKeySUXFGUPKRABEKY-UHFFFAOYSA-N
XLogP3.50
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.50
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-ethyl-3-(4-hydroxycyclohexyl)-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]guanidine;hydroiodide
CID 111979558
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethyl-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]guanidine
CID 111799630
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111594283
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[3-(4-methylphenoxy)propyl]guanidine
CID 111595840
1-tert-butyl-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 110964276
2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-1-(2-phenylethyl)guanidine
CID 111822676
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111594275
N-[2-(ethylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119504510
3-[[N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-ethylcarbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 111595832
1-tert-butyl-3-ethyl-2-[(4-fluorophenyl)methyl]guanidine;hydroiodide
CID 110965859
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111594575
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-ethylguanidine;hydroiodide
CID 111593441

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethyl-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]guanidine?
The IUPAC name of 1-tert-butyl-3-ethyl-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]guanidine (CID 111547089) is 1-tert-butyl-3-ethyl-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]guanidine.
What is the SMILES notation for 1-tert-butyl-3-ethyl-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]guanidine?
The canonical SMILES for 1-tert-butyl-3-ethyl-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]guanidine is CCN/C(=N\Cc1ncc(-c2ccc(C)cc2)o1)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-ethyl-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]guanidine?
The InChIKey is SUXFGUPKRABEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-6-19-17(22-18(3,4)5)21-12-16-20-11-15(23-16)14-9-7-13(2)8-10-14/h7-11H,6,12H2,1-5H3,(H2,19,21,22).
What are the key properties of 1-tert-butyl-3-ethyl-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]guanidine?
1-tert-butyl-3-ethyl-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]guanidine has a molecular weight of 314.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethyl-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]guanidine is sourced from PubChem (CID 111547089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).