1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine

C18H33N5O3 — CID 111554199

IUPAC1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
SMILESCCN/C(=N\CCCOCC1CCCO1)NCCc1nc(C(C)C)no1
InChIInChI=1S/C18H33N5O3/c1-4-19-18(20-9-6-11-24-13-15-7-5-12-25-15)21-10-8-16-22-17(14(2)3)23-26-16/h14-15H,4-13H2,1-3H3,(H2,19,20,21)
InChIKeyYQDYVDLYVFZFNN-UHFFFAOYSA-N
MW367.49 g/mol
LogP1.88
Rot. Bonds11

About 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine

1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine (PubChem CID 111554199) has the molecular formula C18H33N5O3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
PubChem CID111554199
Molecular FormulaC18H33N5O3
Molecular Weight367.49 g/mol
Exact Mass367.26
IUPAC Name1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
SMILESCCN/C(=N\CCCOCC1CCCO1)NCCc1nc(C(C)C)no1
InChIInChI=1S/C18H33N5O3/c1-4-19-18(20-9-6-11-24-13-15-7-5-12-25-15)21-10-8-16-22-17(14(2)3)23-26-16/h14-15H,4-13H2,1-3H3,(H2,19,20,21)
InChIKeyYQDYVDLYVFZFNN-UHFFFAOYSA-N
XLogP1.88
TPSA93.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 51.88
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'}

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Related Compounds

1-(3-butoxypropyl)-3-ethyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 111239713
1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111408609
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111768889
1-ethyl-2-pentyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111554318
1-ethyl-3-(4-methylpentyl)-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111408774
1-(3-ethoxypropyl)-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111222112
1-ethyl-2-[3-(2-methylpiperidin-1-yl)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 111554403
1-(2-ethoxyethyl)-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111407644
1-[2-(cyclopropylmethoxy)ethyl]-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111768913
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111786839
1-ethyl-3-[2-(ethylsulfonylamino)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111407858
1-(3-cyclopentylpropyl)-3-ethyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]guanidine;hydroiodide
CID 111946480

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine (CID 111554199) is 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine is CCN/C(=N\CCCOCC1CCCO1)NCCc1nc(C(C)C)no1.
What is the InChIKey of 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine?
The InChIKey is YQDYVDLYVFZFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O3/c1-4-19-18(20-9-6-11-24-13-15-7-5-12-25-15)21-10-8-16-22-17(14(2)3)23-26-16/h14-15H,4-13H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine?
1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine has a molecular weight of 367.49 g/mol, XLogP of 1.88, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine is sourced from PubChem (CID 111554199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).