1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide

C12H23IN4O3 — CID 111965280

IUPAC1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCCOCCOC)NCc1ccon1.I
InChIInChI=1S/C12H22N4O3.HI/c1-13-12(15-10-11-4-7-19-16-11)14-5-3-6-18-9-8-17-2;/h4,7H,3,5-6,8-10H2,1-2H3,(H2,13,14,15);1H
InChIKeyFRDBSRIQNRCTIC-UHFFFAOYSA-N
MW398.25 g/mol
LogP1.01
Rot. Bonds9

About 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide

1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide (PubChem CID 111965280) has the molecular formula C12H23IN4O3 and a molecular weight of 398.25 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
PubChem CID111965280
Molecular FormulaC12H23IN4O3
Molecular Weight398.25 g/mol
Exact Mass398.08
IUPAC Name1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCCOCCOC)NCc1ccon1.I
InChIInChI=1S/C12H22N4O3.HI/c1-13-12(15-10-11-4-7-19-16-11)14-5-3-6-18-9-8-17-2;/h4,7H,3,5-6,8-10H2,1-2H3,(H2,13,14,15);1H
InChIKeyFRDBSRIQNRCTIC-UHFFFAOYSA-N
XLogP1.01
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;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

2-methyl-1-(1,2-oxazol-3-ylmethyl)-3-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 111965268
1-[(3-bromophenyl)methyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111404890
1-[2-(2-methoxyethoxy)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405155
1-[3-(2-methoxyethoxy)propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942314
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
CID 111964344
1-[4-(2-methoxyethoxy)butyl]-2-methyl-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine;hydroiodide
CID 111590968
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111840158
1-butyl-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111150615
1-benzyl-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
CID 111963898
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111406560
1-[4-(2-methoxyethoxy)butyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111941414
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194663

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide (CID 111965280) is 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide is C/N=C(\NCCCOCCOC)NCc1ccon1.I.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide?
The InChIKey is FRDBSRIQNRCTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3.HI/c1-13-12(15-10-11-4-7-19-16-11)14-5-3-6-18-9-8-17-2;/h4,7H,3,5-6,8-10H2,1-2H3,(H2,13,14,15);1H.
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide?
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide has a molecular weight of 398.25 g/mol, XLogP of 1.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111965280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).