N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide

C18H26N6O4 — CID 111511387

IUPACN-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
SMILESCCOC(C)c1noc(CN/C(=N\C)N2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C18H26N6O4/c1-4-26-13(2)16-21-15(28-22-16)12-20-18(19-3)24-9-7-23(8-10-24)17(25)14-6-5-11-27-14/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,19,20)
InChIKeyFGVZVHGISNDILA-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.29
Rot. Bonds6

About N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide

N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide (PubChem CID 111511387) has the molecular formula C18H26N6O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
PubChem CID111511387
Molecular FormulaC18H26N6O4
Molecular Weight390.44 g/mol
Exact Mass390.20
IUPAC NameN-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
SMILESCCOC(C)c1noc(CN/C(=N\C)N2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C18H26N6O4/c1-4-26-13(2)16-21-15(28-22-16)12-20-18(19-3)24-9-7-23(8-10-24)17(25)14-6-5-11-27-14/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,19,20)
InChIKeyFGVZVHGISNDILA-UHFFFAOYSA-N
XLogP1.29
TPSA109.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methyl-4-[(3-methylphenyl)methyl]piperazine-1-carboximidamide
CID 111516605
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methyl-4-(3-methylphenyl)piperazine-1-carboximidamide
CID 111520975
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111514483
4-(furan-2-carbonyl)-N'-methyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111166998
4-(5-chloro-2-methylphenyl)-N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111513725
N-butyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166854
4-(furan-2-carbonyl)-N'-methyl-N-(3-methylbutyl)piperazine-1-carboximidamide
CID 111168423
2-[[C-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-methylacetamide
CID 119130465
4-(furan-2-carbonyl)-N'-methyl-N-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide
CID 111167773
methyl 3-[[C-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-2-methylpropanoate;hydroiodide
CID 111167646
4-(furan-2-carbonyl)-N'-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperazine-1-carboximidamide
CID 111168323
N-[2-(2,6-dichlorophenyl)propyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111167209

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide?
The IUPAC name of N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide (CID 111511387) is N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide?
The canonical SMILES for N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide is CCOC(C)c1noc(CN/C(=N\C)N2CCN(C(=O)c3ccco3)CC2)n1.
What is the InChIKey of N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide?
The InChIKey is FGVZVHGISNDILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O4/c1-4-26-13(2)16-21-15(28-22-16)12-20-18(19-3)24-9-7-23(8-10-24)17(25)14-6-5-11-27-14/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,19,20).
What are the key properties of N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide?
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide has a molecular weight of 390.44 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 111511387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).