2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide

C19H36IN5O — CID 109428640

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1nc(C)c(C)o1)NCC(CC(C)C)N1CCCC1.I
InChIInChI=1S/C19H35N5O.HI/c1-6-20-19(22-13-18-23-15(4)16(5)25-18)21-12-17(11-14(2)3)24-9-7-8-10-24;/h14,17H,6-13H2,1-5H3,(H2,20,21,22);1H
InChIKeySJJREZKHRBFIQN-UHFFFAOYSA-N
MW477.44 g/mol
LogP3.48
Rot. Bonds8

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide (PubChem CID 109428640) has the molecular formula C19H36IN5O and a molecular weight of 477.44 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
PubChem CID109428640
Molecular FormulaC19H36IN5O
Molecular Weight477.44 g/mol
Exact Mass477.20
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1nc(C)c(C)o1)NCC(CC(C)C)N1CCCC1.I
InChIInChI=1S/C19H35N5O.HI/c1-6-20-19(22-13-18-23-15(4)16(5)25-18)21-12-17(11-14(2)3)24-9-7-8-10-24;/h14,17H,6-13H2,1-5H3,(H2,20,21,22);1H
InChIKeySJJREZKHRBFIQN-UHFFFAOYSA-N
XLogP3.48
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
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'}

Analyze 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)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

1-[2-(azepan-1-yl)-3-methylbutyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 111937470
1-[2-(diethylamino)propyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 109432488
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
CID 111304953
1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 109432060
1-[2-(azepan-1-yl)ethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109430029
1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111705164
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-ethylcyclopentyl)methyl]guanidine;hydroiodide
CID 109430348
ethyl N-[1-[[N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylcarbamimidoyl]amino]-4-methylpentan-2-yl]carbamate
CID 109428693
1-[2-[cyclopropyl(methyl)amino]propyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109430487
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]guanidine
CID 109430897
N-[2-[[N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111928557
1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111377131

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide (CID 109428640) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide is CCN/C(=N\Cc1nc(C)c(C)o1)NCC(CC(C)C)N1CCCC1.I.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide?
The InChIKey is SJJREZKHRBFIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O.HI/c1-6-20-19(22-13-18-23-15(4)16(5)25-18)21-12-17(11-14(2)3)24-9-7-8-10-24;/h14,17H,6-13H2,1-5H3,(H2,20,21,22);1H.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide has a molecular weight of 477.44 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide is sourced from PubChem (CID 109428640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).