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

C18H24N4O — CID 110992891

IUPAC1-cyclopentyl-3-ethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1cc(-c2ccccc2)on1)NC1CCCC1
InChIInChI=1S/C18H24N4O/c1-2-19-18(21-15-10-6-7-11-15)20-13-16-12-17(23-22-16)14-8-4-3-5-9-14/h3-5,8-9,12,15H,2,6-7,10-11,13H2,1H3,(H2,19,20,21)
InChIKeyBCVUIYHKGMMYLB-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.34
Rot. Bonds5

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

1-cyclopentyl-3-ethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine (PubChem CID 110992891) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
PubChem CID110992891
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-cyclopentyl-3-ethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1cc(-c2ccccc2)on1)NC1CCCC1
InChIInChI=1S/C18H24N4O/c1-2-19-18(21-15-10-6-7-11-15)20-13-16-12-17(23-22-16)14-8-4-3-5-9-14/h3-5,8-9,12,15H,2,6-7,10-11,13H2,1H3,(H2,19,20,21)
InChIKeyBCVUIYHKGMMYLB-UHFFFAOYSA-N
XLogP3.34
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.34
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-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 109458943
1-ethyl-3-(1-phenylethyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 110950311
1-(2-ethoxyethyl)-3-ethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111895185
1-(3-butoxypropyl)-3-ethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111239321
1-ethyl-3-[2-(3-fluorophenyl)ethyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111396219
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111712919
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 109431461
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopentyl-3-ethylguanidine
CID 111790966
1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111932667
1-[[[N-ethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571588
2-methyl-1-(4-methylcyclohexyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111256219
1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111009167

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine?
The IUPAC name of 1-cyclopentyl-3-ethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine (CID 110992891) is 1-cyclopentyl-3-ethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine?
The canonical SMILES for 1-cyclopentyl-3-ethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine is CCN/C(=N\Cc1cc(-c2ccccc2)on1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-ethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine?
The InChIKey is BCVUIYHKGMMYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-2-19-18(21-15-10-6-7-11-15)20-13-16-12-17(23-22-16)14-8-4-3-5-9-14/h3-5,8-9,12,15H,2,6-7,10-11,13H2,1H3,(H2,19,20,21).
What are the key properties of 1-cyclopentyl-3-ethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine?
1-cyclopentyl-3-ethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine has a molecular weight of 312.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine is sourced from PubChem (CID 110992891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).