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

C16H26N6O — CID 119152825

IUPAC3-(2,5-dihydropyrrol-1-yl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
SMILESCCc1nc(CCN/C(=N\C)N2CCC(N3CC=CC3)C2)no1
InChIInChI=1S/C16H26N6O/c1-3-15-19-14(20-23-15)6-8-18-16(17-2)22-11-7-13(12-22)21-9-4-5-10-21/h4-5,13H,3,6-12H2,1-2H3,(H,17,18)
InChIKeyQXPLPWDVABRIPZ-UHFFFAOYSA-N
MW318.43 g/mol
LogP0.70
Rot. Bonds5

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

3-(2,5-dihydropyrrol-1-yl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 119152825) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is 3-(2,5-dihydropyrrol-1-yl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-(2,5-dihydropyrrol-1-yl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
PubChem CID119152825
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC Name3-(2,5-dihydropyrrol-1-yl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
SMILESCCc1nc(CCN/C(=N\C)N2CCC(N3CC=CC3)C2)no1
InChIInChI=1S/C16H26N6O/c1-3-15-19-14(20-23-15)6-8-18-16(17-2)22-11-7-13(12-22)21-9-4-5-10-21/h4-5,13H,3,6-12H2,1-2H3,(H,17,18)
InChIKeyQXPLPWDVABRIPZ-UHFFFAOYSA-N
XLogP0.70
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 50.70
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dihydropyrrol-1-yl)-N'-methyl-N-[2-(oxan-4-yl)ethyl]pyrrolidine-1-carboximidamide
CID 119154284
N-[2-[[C-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111998188
N-[2-(4-fluorophenyl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726696
N-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726567
N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211357
N'-methyl-N-[2-(3-methylphenyl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726240
N-[2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726239
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111728203
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726692
N'-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111743684
3-(2,5-dihydropyrrol-1-yl)-N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119160787
3-(2,5-dihydropyrrol-1-yl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119152784

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydropyrrol-1-yl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of 3-(2,5-dihydropyrrol-1-yl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide (CID 119152825) is 3-(2,5-dihydropyrrol-1-yl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-(2,5-dihydropyrrol-1-yl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for 3-(2,5-dihydropyrrol-1-yl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide is CCc1nc(CCN/C(=N\C)N2CCC(N3CC=CC3)C2)no1.
What is the InChIKey of 3-(2,5-dihydropyrrol-1-yl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is QXPLPWDVABRIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-3-15-19-14(20-23-15)6-8-18-16(17-2)22-11-7-13(12-22)21-9-4-5-10-21/h4-5,13H,3,6-12H2,1-2H3,(H,17,18).
What are the key properties of 3-(2,5-dihydropyrrol-1-yl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide?
3-(2,5-dihydropyrrol-1-yl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 318.43 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydropyrrol-1-yl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 119152825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).