N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide

C17H24N6O — CID 110962139

IUPACN-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1nc(C)no1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H24N6O/c1-3-18-17(19-13-16-20-14(2)21-24-16)23-11-9-22(10-12-23)15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,18,19)
InChIKeySTAGSTQZAGLKRZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.67
Rot. Bonds4

About N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide

N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide (PubChem CID 110962139) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide
PubChem CID110962139
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1nc(C)no1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H24N6O/c1-3-18-17(19-13-16-20-14(2)21-24-16)23-11-9-22(10-12-23)15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,18,19)
InChIKeySTAGSTQZAGLKRZ-UHFFFAOYSA-N
XLogP1.67
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethyl-4-(2-fluorophenyl)-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboximidamide
CID 111148403
N'-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide
CID 110962137
ethyl 4-[N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111163039
N-ethyl-N'-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboximidamide
CID 110960789
N-ethyl-4-(2-fluorophenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111149157
N-ethyl-4-(2-methoxyphenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide
CID 111133787
N-ethyl-4-phenyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide
CID 110961985
N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479662
N-ethyl-N'-(2-methylpropyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961404
N-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110961774
N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111165434
N-ethyl-3-methyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111144217

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide (CID 110962139) is N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide is CCN/C(=N\Cc1nc(C)no1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide?
The InChIKey is STAGSTQZAGLKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-3-18-17(19-13-16-20-14(2)21-24-16)23-11-9-22(10-12-23)15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,18,19).
What are the key properties of N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide?
N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide has a molecular weight of 328.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide is sourced from PubChem (CID 110962139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).