2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine

C5H9N5O2 — CID 137202443

IUPAC2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine
SMILESNC(N)=NCCc1noc(=O)[nH]1
InChIInChI=1S/C5H9N5O2/c6-4(7)8-2-1-3-9-5(11)12-10-3/h1-2H2,(H4,6,7,8)(H,9,10,11)
InChIKeyHOQVIIQTTQTECK-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.82
Rot. Bonds3

About 2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine

2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine (PubChem CID 137202443) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine
PubChem CID137202443
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Name2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine
SMILESNC(N)=NCCc1noc(=O)[nH]1
InChIInChI=1S/C5H9N5O2/c6-4(7)8-2-1-3-9-5(11)12-10-3/h1-2H2,(H4,6,7,8)(H,9,10,11)
InChIKeyHOQVIIQTTQTECK-UHFFFAOYSA-N
XLogP-1.82
TPSA123.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
The IUPAC name of 2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine (CID 137202443) is 2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
The canonical SMILES for 2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine is NC(N)=NCCc1noc(=O)[nH]1.
What is the InChIKey of 2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
The InChIKey is HOQVIIQTTQTECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c6-4(7)8-2-1-3-9-5(11)12-10-3/h1-2H2,(H4,6,7,8)(H,9,10,11).
What are the key properties of 2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine?
2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine has a molecular weight of 171.16 g/mol, XLogP of -1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]guanidine is sourced from PubChem (CID 137202443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).