1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(2-hydroxy-2-phenylpropyl)guanidine

C24H31N5O2 — CID 109418532

IUPAC1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(2-hydroxy-2-phenylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccccc1)NCCc1ccc(-c2nc(CC)no2)cc1
InChIInChI=1S/C24H31N5O2/c1-4-21-28-22(31-29-21)19-13-11-18(12-14-19)15-16-26-23(25-5-2)27-17-24(3,30)20-9-7-6-8-10-20/h6-14,30H,4-5,15-17H2,1-3H3,(H2,25,26,27)
InChIKeyBWZLJTVFYWTYFT-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.30
Rot. Bonds9

About 1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(2-hydroxy-2-phenylpropyl)guanidine

1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(2-hydroxy-2-phenylpropyl)guanidine (PubChem CID 109418532) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(2-hydroxy-2-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(2-hydroxy-2-phenylpropyl)guanidine
PubChem CID109418532
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(2-hydroxy-2-phenylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccccc1)NCCc1ccc(-c2nc(CC)no2)cc1
InChIInChI=1S/C24H31N5O2/c1-4-21-28-22(31-29-21)19-13-11-18(12-14-19)15-16-26-23(25-5-2)27-17-24(3,30)20-9-7-6-8-10-20/h6-14,30H,4-5,15-17H2,1-3H3,(H2,25,26,27)
InChIKeyBWZLJTVFYWTYFT-UHFFFAOYSA-N
XLogP3.30
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(2-hydroxy-2-phenylpropyl)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

1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(2-phenoxyethyl)guanidine
CID 111006273
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 109417498
1,3-diethyl-2-(2-hydroxy-2-phenylpropyl)guanidine
CID 111335969
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 109417642
1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111417332
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227458
tert-butyl N-[2-[[N-ethyl-N'-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111883996
(2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide
CID 119317575
1-butyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methylguanidine
CID 111150132
1-ethyl-2-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-phenylethyl)guanidine
CID 111654976
1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111932451
1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2-hydroxy-2-phenylpropyl)guanidine
CID 109418300

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(2-hydroxy-2-phenylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(2-hydroxy-2-phenylpropyl)guanidine (CID 109418532) is 1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(2-hydroxy-2-phenylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(2-hydroxy-2-phenylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(2-hydroxy-2-phenylpropyl)guanidine is CCN/C(=N\CC(C)(O)c1ccccc1)NCCc1ccc(-c2nc(CC)no2)cc1.
What is the InChIKey of 1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(2-hydroxy-2-phenylpropyl)guanidine?
The InChIKey is BWZLJTVFYWTYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-4-21-28-22(31-29-21)19-13-11-18(12-14-19)15-16-26-23(25-5-2)27-17-24(3,30)20-9-7-6-8-10-20/h6-14,30H,4-5,15-17H2,1-3H3,(H2,25,26,27).
What are the key properties of 1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(2-hydroxy-2-phenylpropyl)guanidine?
1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(2-hydroxy-2-phenylpropyl)guanidine has a molecular weight of 421.55 g/mol, XLogP of 3.30, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(2-hydroxy-2-phenylpropyl)guanidine is sourced from PubChem (CID 109418532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).