N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide

C12H21IN4O — CID 119114629

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1c(C)noc1C)N1CCCC1.I
InChIInChI=1S/C12H20N4O.HI/c1-9-11(10(2)17-15-9)8-14-12(13-3)16-6-4-5-7-16;/h4-8H2,1-3H3,(H,13,14);1H
InChIKeyJOKISKKCKWSJTO-UHFFFAOYSA-N
MW364.23 g/mol
LogP2.08
Rot. Bonds2

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 119114629) has the molecular formula C12H21IN4O and a molecular weight of 364.23 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID119114629
Molecular FormulaC12H21IN4O
Molecular Weight364.23 g/mol
Exact Mass364.08
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1c(C)noc1C)N1CCCC1.I
InChIInChI=1S/C12H20N4O.HI/c1-9-11(10(2)17-15-9)8-14-12(13-3)16-6-4-5-7-16;/h4-8H2,1-3H3,(H,13,14);1H
InChIKeyJOKISKKCKWSJTO-UHFFFAOYSA-N
XLogP2.08
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide 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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 119130311
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 119157988
4-acetyl-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 119157757
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboximidamide
CID 119145436
1-(cyclopropylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylguanidine;hydroiodide
CID 119149389
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489722
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 75462240
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(ethylamino)acetamide
CID 79236491
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486963
(2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97314346
N-ethyl-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 131039665
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 119151628

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide (CID 119114629) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(/NCc1c(C)noc1C)N1CCCC1.I.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is JOKISKKCKWSJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.HI/c1-9-11(10(2)17-15-9)8-14-12(13-3)16-6-4-5-7-16;/h4-8H2,1-3H3,(H,13,14);1H.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 364.23 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119114629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).