2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine

C14H26N4O2 — CID 111607315

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine
SMILESCCN/C(=N\Cc1nc(C)c(C)o1)NCC(C)(C)OC
InChIInChI=1S/C14H26N4O2/c1-7-15-13(17-9-14(4,5)19-6)16-8-12-18-10(2)11(3)20-12/h7-9H2,1-6H3,(H2,15,16,17)
InChIKeyFFGVIKSHOODOAU-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.77
Rot. Bonds6

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine (PubChem CID 111607315) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine
PubChem CID111607315
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine
SMILESCCN/C(=N\Cc1nc(C)c(C)o1)NCC(C)(C)OC
InChIInChI=1S/C14H26N4O2/c1-7-15-13(17-9-14(4,5)19-6)16-8-12-18-10(2)11(3)20-12/h7-9H2,1-6H3,(H2,15,16,17)
InChIKeyFFGVIKSHOODOAU-UHFFFAOYSA-N
XLogP1.77
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(hydroxymethyl)-2-methylbutyl]guanidine
CID 109429763
3-[[N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylcarbamimidoyl]amino]-2,2-dimethylpropanamide
CID 109429881
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-ethyl-2-(hydroxymethyl)butyl]guanidine;hydroiodide
CID 109430892
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-ethylguanidine;hydroiodide
CID 109430052
tert-butyl N-[3-[[N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylcarbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111886010
1-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 109432436
1-(2-cyclohexylethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 111953360
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-hydroxycyclohexyl)methyl]guanidine
CID 109432511
1-[2-(azepan-1-yl)ethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109430029
1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111605869
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111138265
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111170254

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine (CID 111607315) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine is CCN/C(=N\Cc1nc(C)c(C)o1)NCC(C)(C)OC.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine?
The InChIKey is FFGVIKSHOODOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-7-15-13(17-9-14(4,5)19-6)16-8-12-18-10(2)11(3)20-12/h7-9H2,1-6H3,(H2,15,16,17).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine has a molecular weight of 282.39 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine is sourced from PubChem (CID 111607315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).