1-(3-butoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine

C18H28N6O2 — CID 111763941

IUPAC1-(3-butoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
SMILESCCCCOCCCN/C(=N\C)NCCc1noc(-c2ccccn2)n1
InChIInChI=1S/C18H28N6O2/c1-3-4-13-25-14-7-11-21-18(19-2)22-12-9-16-23-17(26-24-16)15-8-5-6-10-20-15/h5-6,8,10H,3-4,7,9,11-14H2,1-2H3,(H2,19,21,22)
InChIKeyMTMFNDJPOSWUTE-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.05
Rot. Bonds11

About 1-(3-butoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine

1-(3-butoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine (PubChem CID 111763941) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-(3-butoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(3-butoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
PubChem CID111763941
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name1-(3-butoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
SMILESCCCCOCCCN/C(=N\C)NCCc1noc(-c2ccccn2)n1
InChIInChI=1S/C18H28N6O2/c1-3-4-13-25-14-7-11-21-18(19-2)22-12-9-16-23-17(26-24-16)15-8-5-6-10-20-15/h5-6,8,10H,3-4,7,9,11-14H2,1-2H3,(H2,19,21,22)
InChIKeyMTMFNDJPOSWUTE-UHFFFAOYSA-N
XLogP2.05
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.05
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-ethoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111763267
2-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111764833
2-methyl-1-(3-phenylpropyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111762693
2-methyl-1-(2-pyridin-2-ylethyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111762365
2-methyl-1-(7-methyloctyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111762914
2-methyl-1-(2-phenylsulfanylethyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111767321
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111766049
1-[(4-chlorophenyl)methyl]-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111760722
2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111767222
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111762778
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111764238
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111499327

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
The IUPAC name of 1-(3-butoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine (CID 111763941) is 1-(3-butoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-(3-butoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-(3-butoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine is CCCCOCCCN/C(=N\C)NCCc1noc(-c2ccccn2)n1.
What is the InChIKey of 1-(3-butoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
The InChIKey is MTMFNDJPOSWUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-3-4-13-25-14-7-11-21-18(19-2)22-12-9-16-23-17(26-24-16)15-8-5-6-10-20-15/h5-6,8,10H,3-4,7,9,11-14H2,1-2H3,(H2,19,21,22).
What are the key properties of 1-(3-butoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
1-(3-butoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine has a molecular weight of 360.46 g/mol, XLogP of 2.05, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine is sourced from PubChem (CID 111763941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).