1-cyclohexyl-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine;hydroiodide

C17H23IN4O — CID 111068995

IUPAC1-cyclohexyl-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ncc(-c2ccccc2)o1)NC1CCCCC1
InChIInChI=1S/C17H22N4O.HI/c18-17(21-14-9-5-2-6-10-14)20-12-16-19-11-15(22-16)13-7-3-1-4-8-13;/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H3,18,20,21);1H
InChIKeyHRBCSYDBSLLZQP-UHFFFAOYSA-N
MW426.30 g/mol
LogP3.70
Rot. Bonds4

About 1-cyclohexyl-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine;hydroiodide

1-cyclohexyl-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine;hydroiodide (PubChem CID 111068995) has the molecular formula C17H23IN4O and a molecular weight of 426.30 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine;hydroiodide
PubChem CID111068995
Molecular FormulaC17H23IN4O
Molecular Weight426.30 g/mol
Exact Mass426.09
IUPAC Name1-cyclohexyl-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ncc(-c2ccccc2)o1)NC1CCCCC1
InChIInChI=1S/C17H22N4O.HI/c18-17(21-14-9-5-2-6-10-14)20-12-16-19-11-15(22-16)13-7-3-1-4-8-13;/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H3,18,20,21);1H
InChIKeyHRBCSYDBSLLZQP-UHFFFAOYSA-N
XLogP3.70
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.30
LogP ≤ 53.70
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

2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopentylguanidine;hydroiodide
CID 119147941
2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]-1-(2-phenylethyl)guanidine
CID 111822676
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine
CID 109439833
1-cyclohexyl-2-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119146702
1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide
CID 119164307
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111041906
2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-cyclohexylguanidine;hydroiodide
CID 111064293
1-ethyl-3-(4-hydroxycyclohexyl)-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]guanidine;hydroiodide
CID 111979558
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-cyclohexyl-2-[(1-phenylpyrazol-3-yl)methyl]guanidine
CID 119119668
1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111065001
1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111038799

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine;hydroiodide (CID 111068995) is 1-cyclohexyl-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine;hydroiodide is I.N/C(=N\Cc1ncc(-c2ccccc2)o1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine;hydroiodide?
The InChIKey is HRBCSYDBSLLZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.HI/c18-17(21-14-9-5-2-6-10-14)20-12-16-19-11-15(22-16)13-7-3-1-4-8-13;/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H3,18,20,21);1H.
What are the key properties of 1-cyclohexyl-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine;hydroiodide?
1-cyclohexyl-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 426.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111068995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).