2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylguanidine

C8H15N5O — CID 103734481

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/Cc1noc(C)n1
InChIInChI=1S/C8H15N5O/c1-3-4-10-8(9)11-5-7-12-6(2)14-13-7/h3-5H2,1-2H3,(H3,9,10,11)
InChIKeyVKXHJEQTHKJYCH-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.19
Rot. Bonds4

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylguanidine

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylguanidine (PubChem CID 103734481) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylguanidine.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylguanidine
PubChem CID103734481
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/Cc1noc(C)n1
InChIInChI=1S/C8H15N5O/c1-3-4-10-8(9)11-5-7-12-6(2)14-13-7/h3-5H2,1-2H3,(H3,9,10,11)
InChIKeyVKXHJEQTHKJYCH-UHFFFAOYSA-N
XLogP0.19
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-diethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111465113
1-amino-3-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
CID 106412582
1-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 106419327
1-cyclopentyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 119147857
1-(6-methylheptan-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
CID 111814164
1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111602043
1-ethyl-3-(3-methylbutyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111602340
1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111986772
N-ethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111790197
2-[(5-methylpyrazin-2-yl)methyl]-1-propylguanidine
CID 62846130
1-(3-cyclopentylpropyl)-3-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
CID 111602175
1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111601839

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylguanidine?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylguanidine (CID 103734481) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylguanidine.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylguanidine?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylguanidine is CCCN/C(N)=N/Cc1noc(C)n1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylguanidine?
The InChIKey is VKXHJEQTHKJYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-3-4-10-8(9)11-5-7-12-6(2)14-13-7/h3-5H2,1-2H3,(H3,9,10,11).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylguanidine?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylguanidine has a molecular weight of 197.24 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylguanidine is sourced from PubChem (CID 103734481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).