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

C18H25IN4O — CID 109428316

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
SMILESC/N=C(\NCc1nc(C)c(C)o1)NC1CC1c1ccccc1C.I
InChIInChI=1S/C18H24N4O.HI/c1-11-7-5-6-8-14(11)15-9-16(15)22-18(19-4)20-10-17-21-12(2)13(3)23-17;/h5-8,15-16H,9-10H2,1-4H3,(H2,19,20,22);1H
InChIKeyBVASZCFKCIHIQH-UHFFFAOYSA-N
MW440.33 g/mol
LogP3.44
Rot. Bonds4

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

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide (PubChem CID 109428316) has the molecular formula C18H25IN4O and a molecular weight of 440.33 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
PubChem CID109428316
Molecular FormulaC18H25IN4O
Molecular Weight440.33 g/mol
Exact Mass440.11
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
SMILESC/N=C(\NCc1nc(C)c(C)o1)NC1CC1c1ccccc1C.I
InChIInChI=1S/C18H24N4O.HI/c1-11-7-5-6-8-14(11)15-9-16(15)22-18(19-4)20-10-17-21-12(2)13(3)23-17;/h5-8,15-16H,9-10H2,1-4H3,(H2,19,20,22);1H
InChIKeyBVASZCFKCIHIQH-UHFFFAOYSA-N
XLogP3.44
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.33
LogP ≤ 53.44
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-[2-(2,6-difluorophenyl)cyclopropyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 109429498
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 109431887
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylguanidine
CID 109429561
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111636685
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[[2-(ethoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 109429720
1-cyclopentyl-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111771296
1-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
CID 111776101
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3,3-diphenylpropyl)-2-methylguanidine;hydroiodide
CID 111233712
2-methyl-1-[2-(2-methylphenyl)cyclopropyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111776887
1-[(2-cyclopentyloxyphenyl)methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 109430884
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]guanidine
CID 109429131
1-[(4-chlorophenyl)methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111130813

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide (CID 109428316) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide is C/N=C(\NCc1nc(C)c(C)o1)NC1CC1c1ccccc1C.I.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide?
The InChIKey is BVASZCFKCIHIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.HI/c1-11-7-5-6-8-14(11)15-9-16(15)22-18(19-4)20-10-17-21-12(2)13(3)23-17;/h5-8,15-16H,9-10H2,1-4H3,(H2,19,20,22);1H.
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide has a molecular weight of 440.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide is sourced from PubChem (CID 109428316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).