1-ethyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-morpholin-4-ylpropyl)guanidine

C16H30N6O2 — CID 111021877

IUPAC1-ethyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCCCc1nc(C)no1
InChIInChI=1S/C16H30N6O2/c1-4-17-16(18-7-5-6-15-20-14(3)21-24-15)19-12-13(2)22-8-10-23-11-9-22/h13H,4-12H2,1-3H3,(H2,17,18,19)
InChIKeyPDSKCNNGUDJWOT-UHFFFAOYSA-N
MW338.46 g/mol
LogP0.59
Rot. Bonds8

About 1-ethyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-morpholin-4-ylpropyl)guanidine

1-ethyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-morpholin-4-ylpropyl)guanidine (PubChem CID 111021877) has the molecular formula C16H30N6O2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-ethyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-morpholin-4-ylpropyl)guanidine
PubChem CID111021877
Molecular FormulaC16H30N6O2
Molecular Weight338.46 g/mol
Exact Mass338.24
IUPAC Name1-ethyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCCCc1nc(C)no1
InChIInChI=1S/C16H30N6O2/c1-4-17-16(18-7-5-6-15-20-14(3)21-24-15)19-12-13(2)22-8-10-23-11-9-22/h13H,4-12H2,1-3H3,(H2,17,18,19)
InChIKeyPDSKCNNGUDJWOT-UHFFFAOYSA-N
XLogP0.59
TPSA87.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-morpholin-4-ylpropyl)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-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine
CID 111022143
1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110915060
1-ethyl-3-[3-(4-methoxyphenyl)propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111022138
1-[3-(1,3-benzothiazol-2-yl)propyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021519
1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111022080
1-ethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021749
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021484
1-(3,3-dimethylbutyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021927
1-ethyl-2-(2-morpholin-4-ylpropyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 111760407
1-(3-anilinopropyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021154
1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110964681
1-ethyl-3-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111000702

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-morpholin-4-ylpropyl)guanidine (CID 111021877) is 1-ethyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC(C)N1CCOCC1)NCCCc1nc(C)no1.
What is the InChIKey of 1-ethyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-morpholin-4-ylpropyl)guanidine?
The InChIKey is PDSKCNNGUDJWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6O2/c1-4-17-16(18-7-5-6-15-20-14(3)21-24-15)19-12-13(2)22-8-10-23-11-9-22/h13H,4-12H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-ethyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-morpholin-4-ylpropyl)guanidine?
1-ethyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-morpholin-4-ylpropyl)guanidine has a molecular weight of 338.46 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111021877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).