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

C19H26N4O — CID 109431887

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
SMILESCCN/C(=N\Cc1nc(C)c(C)o1)NC1CC1c1ccccc1C
InChIInChI=1S/C19H26N4O/c1-5-20-19(21-11-18-22-13(3)14(4)24-18)23-17-10-16(17)15-9-7-6-8-12(15)2/h6-9,16-17H,5,10-11H2,1-4H3,(H2,20,21,23)
InChIKeyNSQSJHSQRDQKAZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.21
Rot. Bonds5

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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine (PubChem CID 109431887) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
PubChem CID109431887
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
SMILESCCN/C(=N\Cc1nc(C)c(C)o1)NC1CC1c1ccccc1C
InChIInChI=1S/C19H26N4O/c1-5-20-19(21-11-18-22-13(3)14(4)24-18)23-17-10-16(17)15-9-7-6-8-12(15)2/h6-9,16-17H,5,10-11H2,1-4H3,(H2,20,21,23)
InChIKeyNSQSJHSQRDQKAZ-UHFFFAOYSA-N
XLogP3.21
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.21
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'}

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Related Compounds

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
CID 109428316
1-(2-cyclohexylcyclopropyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109430387
2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111773586
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111776660
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111913349
1-[(1-benzylpiperidin-2-yl)methyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109430959
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(2-phenyloxolan-3-yl)methyl]guanidine;hydroiodide
CID 111620947
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111138265
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-hydroxy-3-phenylpropyl)guanidine
CID 109430483
1-[2-(dimethylamino)-2-phenylethyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109429953
2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine
CID 111661851
1-[(1-benzylpiperidin-2-yl)methyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 109430958

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine (CID 109431887) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine is CCN/C(=N\Cc1nc(C)c(C)o1)NC1CC1c1ccccc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
The InChIKey is NSQSJHSQRDQKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-20-19(21-11-18-22-13(3)14(4)24-18)23-17-10-16(17)15-9-7-6-8-12(15)2/h6-9,16-17H,5,10-11H2,1-4H3,(H2,20,21,23).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine has a molecular weight of 326.44 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 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-[2-(2-methylphenyl)cyclopropyl]guanidine is sourced from PubChem (CID 109431887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).