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

C12H21IN4O — CID 119120532

IUPAC1-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine;hydroiodide
SMILESCc1noc(C)c1C/N=C(\N)NC1CCCC1.I
InChIInChI=1S/C12H20N4O.HI/c1-8-11(9(2)17-16-8)7-14-12(13)15-10-5-3-4-6-10;/h10H,3-7H2,1-2H3,(H3,13,14,15);1H
InChIKeyURKSIAZWPSNQTC-UHFFFAOYSA-N
MW364.23 g/mol
LogP2.26
Rot. Bonds3

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

1-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine;hydroiodide (PubChem CID 119120532) has the molecular formula C12H21IN4O and a molecular weight of 364.23 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine;hydroiodide
PubChem CID119120532
Molecular FormulaC12H21IN4O
Molecular Weight364.23 g/mol
Exact Mass364.08
IUPAC Name1-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine;hydroiodide
SMILESCc1noc(C)c1C/N=C(\N)NC1CCCC1.I
InChIInChI=1S/C12H20N4O.HI/c1-8-11(9(2)17-16-8)7-14-12(13)15-10-5-3-4-6-10;/h10H,3-7H2,1-2H3,(H3,13,14,15);1H
InChIKeyURKSIAZWPSNQTC-UHFFFAOYSA-N
XLogP2.26
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 52.26
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-cyclohexyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
CID 78931877
1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine
CID 119147204
1-cyclohexyl-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]guanidine
CID 122096350
1-cyclohexyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine
CID 111975463
1-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine;hydroiodide
CID 111975072
1-(cyclobutylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
CID 119120511
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
CID 119120494
1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 119147857
1-cyclohexyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 119120615
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
CID 78989893
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylguanidine
CID 78989909
1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111817540

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine;hydroiodide (CID 119120532) is 1-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine;hydroiodide is Cc1noc(C)c1C/N=C(\N)NC1CCCC1.I.
What is the InChIKey of 1-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine;hydroiodide?
The InChIKey is URKSIAZWPSNQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.HI/c1-8-11(9(2)17-16-8)7-14-12(13)15-10-5-3-4-6-10;/h10H,3-7H2,1-2H3,(H3,13,14,15);1H.
What are the key properties of 1-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine;hydroiodide?
1-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine;hydroiodide has a molecular weight of 364.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 119120532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).