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

C11H20IN5O — CID 111790197

IUPACN-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1noc(C)n1)N1CCCC1.I
InChIInChI=1S/C11H19N5O.HI/c1-3-12-11(16-6-4-5-7-16)13-8-10-14-9(2)17-15-10;/h3-8H2,1-2H3,(H,12,13);1H
InChIKeyTVSHFOINDNRRAR-UHFFFAOYSA-N
MW365.22 g/mol
LogP1.56
Rot. Bonds3

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

N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111790197) has the molecular formula C11H20IN5O and a molecular weight of 365.22 g/mol. Its IUPAC name is N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111790197
Molecular FormulaC11H20IN5O
Molecular Weight365.22 g/mol
Exact Mass365.07
IUPAC NameN-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1noc(C)n1)N1CCCC1.I
InChIInChI=1S/C11H19N5O.HI/c1-3-12-11(16-6-4-5-7-16)13-8-10-14-9(2)17-15-10;/h3-8H2,1-2H3,(H,12,13);1H
InChIKeyTVSHFOINDNRRAR-UHFFFAOYSA-N
XLogP1.56
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,2-diethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485307
1,3-diethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111465113
1-amino-3-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
CID 106412582
1-ethyl-3-(3-methylbutyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111602340
1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111602043
N-ethyl-3-methyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111144217
1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111986772
ethyl 4-[N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111163039
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
CID 109437875
1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1-phenylpiperidin-4-yl)guanidine;hydroiodide
CID 75512865
N'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488804
1-ethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111601991

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide (CID 111790197) is N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1noc(C)n1)N1CCCC1.I.
What is the InChIKey of N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is TVSHFOINDNRRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O.HI/c1-3-12-11(16-6-4-5-7-16)13-8-10-14-9(2)17-15-10;/h3-8H2,1-2H3,(H,12,13);1H.
What are the key properties of N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 365.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111790197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).