2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine

C15H28N6O — CID 111815806

IUPAC2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
SMILESCCN1CCCC1CN/C(N)=N/Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C15H28N6O/c1-5-21-8-6-7-11(21)9-17-14(16)18-10-12-19-13(22-20-12)15(2,3)4/h11H,5-10H2,1-4H3,(H3,16,17,18)
InChIKeyCDULPLPIIPJGQK-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.26
Rot. Bonds5

About 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine

2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine (PubChem CID 111815806) has the molecular formula C15H28N6O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
PubChem CID111815806
Molecular FormulaC15H28N6O
Molecular Weight308.43 g/mol
Exact Mass308.23
IUPAC Name2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
SMILESCCN1CCCC1CN/C(N)=N/Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C15H28N6O/c1-5-21-8-6-7-11(21)9-17-14(16)18-10-12-19-13(22-20-12)15(2,3)4/h11H,5-10H2,1-4H3,(H3,16,17,18)
InChIKeyCDULPLPIIPJGQK-UHFFFAOYSA-N
XLogP1.26
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine 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

2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclobutylmethyl)guanidine
CID 111815848
2-[(4-tert-butylphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111045482
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1,2-oxazol-3-ylmethyl)guanidine
CID 111601362
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111065950
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]guanidine
CID 111024399
2-[(2-ethylphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111817670
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-(naphthalen-1-ylmethyl)guanidine
CID 111046360
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111038310
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111809336
2-[(5-bromothiophen-2-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111066995
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111090122
2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111025935

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine?
The IUPAC name of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine (CID 111815806) is 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine.
What is the SMILES notation for 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine?
The canonical SMILES for 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine is CCN1CCCC1CN/C(N)=N/Cc1noc(C(C)(C)C)n1.
What is the InChIKey of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine?
The InChIKey is CDULPLPIIPJGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O/c1-5-21-8-6-7-11(21)9-17-14(16)18-10-12-19-13(22-20-12)15(2,3)4/h11H,5-10H2,1-4H3,(H3,16,17,18).
What are the key properties of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine?
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine has a molecular weight of 308.43 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine is sourced from PubChem (CID 111815806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).