1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide

C10H18IN5O — CID 119147857

IUPAC1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
SMILESCc1nc(C/N=C(\N)NC2CCCC2)no1.I
InChIInChI=1S/C10H17N5O.HI/c1-7-13-9(15-16-7)6-12-10(11)14-8-4-2-3-5-8;/h8H,2-6H2,1H3,(H3,11,12,14);1H
InChIKeyDGEZLTDJXIGCCE-UHFFFAOYSA-N
MW351.19 g/mol
LogP1.34
Rot. Bonds3

About 1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide

1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide (PubChem CID 119147857) has the molecular formula C10H18IN5O and a molecular weight of 351.19 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
PubChem CID119147857
Molecular FormulaC10H18IN5O
Molecular Weight351.19 g/mol
Exact Mass351.06
IUPAC Name1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
SMILESCc1nc(C/N=C(\N)NC2CCCC2)no1.I
InChIInChI=1S/C10H17N5O.HI/c1-7-13-9(15-16-7)6-12-10(11)14-8-4-2-3-5-8;/h8H,2-6H2,1H3,(H3,11,12,14);1H
InChIKeyDGEZLTDJXIGCCE-UHFFFAOYSA-N
XLogP1.34
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 51.34
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 1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]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-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 119120532
1-cyclohexyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 119120615
1-cyclohexyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
CID 78931877
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111814145
1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111817540
1-cyclohexyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine
CID 122096350
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylguanidine
CID 103734481
1-cyclohexyl-2-(2H-tetrazol-5-ylmethyl)guanidine
CID 19866588
1-ethyl-3-[(1R,3R)-3-ethylcyclohexyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
CID 97056002
1,3-diethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111465113
1-cyclopentyl-2-[(5-methylfuran-2-yl)methyl]guanidine
CID 62525249
N'-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboximidamide
CID 106423305

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide (CID 119147857) is 1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide is Cc1nc(C/N=C(\N)NC2CCCC2)no1.I.
What is the InChIKey of 1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide?
The InChIKey is DGEZLTDJXIGCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O.HI/c1-7-13-9(15-16-7)6-12-10(11)14-8-4-2-3-5-8;/h8H,2-6H2,1H3,(H3,11,12,14);1H.
What are the key properties of 1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide?
1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide has a molecular weight of 351.19 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 119147857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).