N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methyl-4-(3-methylphenyl)piperazine-1-carboximidamide

C20H30N6O2 — CID 111520975

IUPACN-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methyl-4-(3-methylphenyl)piperazine-1-carboximidamide
SMILESCCOC(C)c1noc(CN/C(=N\C)N2CCN(c3cccc(C)c3)CC2)n1
InChIInChI=1S/C20H30N6O2/c1-5-27-16(3)19-23-18(28-24-19)14-22-20(21-4)26-11-9-25(10-12-26)17-8-6-7-15(2)13-17/h6-8,13,16H,5,9-12,14H2,1-4H3,(H,21,22)
InChIKeyYYCFSPZRSBEMBO-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.37
Rot. Bonds6

About N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methyl-4-(3-methylphenyl)piperazine-1-carboximidamide

N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methyl-4-(3-methylphenyl)piperazine-1-carboximidamide (PubChem CID 111520975) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methyl-4-(3-methylphenyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methyl-4-(3-methylphenyl)piperazine-1-carboximidamide
PubChem CID111520975
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC NameN-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methyl-4-(3-methylphenyl)piperazine-1-carboximidamide
SMILESCCOC(C)c1noc(CN/C(=N\C)N2CCN(c3cccc(C)c3)CC2)n1
InChIInChI=1S/C20H30N6O2/c1-5-27-16(3)19-23-18(28-24-19)14-22-20(21-4)26-11-9-25(10-12-26)17-8-6-7-15(2)13-17/h6-8,13,16H,5,9-12,14H2,1-4H3,(H,21,22)
InChIKeyYYCFSPZRSBEMBO-UHFFFAOYSA-N
XLogP2.37
TPSA79.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methyl-4-(3-methylphenyl)piperazine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111514483
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methyl-4-[(3-methylphenyl)methyl]piperazine-1-carboximidamide
CID 111516605
4-(5-chloro-2-methylphenyl)-N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111513725
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111511387
N'-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide
CID 110962137
N'-methyl-4-(3-methylphenyl)-N-[4-(1,2,4-triazol-4-yl)butyl]piperazine-1-carboximidamide
CID 111520969
1-butan-2-yl-3-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylguanidine;hydroiodide
CID 111492117
3-[(1S)-1-ethoxyethyl]-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 97029336
4-(3-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111186736
2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 96523969
4-(3-chlorophenyl)-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide
CID 111186759
1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-[2-(4-methylphenyl)sulfanylethyl]guanidine;hydroiodide
CID 111518212

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methyl-4-(3-methylphenyl)piperazine-1-carboximidamide?
The IUPAC name of N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methyl-4-(3-methylphenyl)piperazine-1-carboximidamide (CID 111520975) is N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methyl-4-(3-methylphenyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methyl-4-(3-methylphenyl)piperazine-1-carboximidamide?
The canonical SMILES for N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methyl-4-(3-methylphenyl)piperazine-1-carboximidamide is CCOC(C)c1noc(CN/C(=N\C)N2CCN(c3cccc(C)c3)CC2)n1.
What is the InChIKey of N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methyl-4-(3-methylphenyl)piperazine-1-carboximidamide?
The InChIKey is YYCFSPZRSBEMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-5-27-16(3)19-23-18(28-24-19)14-22-20(21-4)26-11-9-25(10-12-26)17-8-6-7-15(2)13-17/h6-8,13,16H,5,9-12,14H2,1-4H3,(H,21,22).
What are the key properties of N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methyl-4-(3-methylphenyl)piperazine-1-carboximidamide?
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methyl-4-(3-methylphenyl)piperazine-1-carboximidamide has a molecular weight of 386.50 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methyl-4-(3-methylphenyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111520975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).