2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-phenylguanidine

C11H13N5O — CID 106401269

IUPAC2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-phenylguanidine
SMILESN/C(=N\CCc1ncon1)Nc1ccccc1
InChIInChI=1S/C11H13N5O/c12-11(15-9-4-2-1-3-5-9)13-7-6-10-14-8-17-16-10/h1-5,8H,6-7H2,(H3,12,13,15)
InChIKeySPTBPRSIFDFUNN-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.04
Rot. Bonds4

About 2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-phenylguanidine

2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-phenylguanidine (PubChem CID 106401269) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-phenylguanidine
PubChem CID106401269
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-phenylguanidine
SMILESN/C(=N\CCc1ncon1)Nc1ccccc1
InChIInChI=1S/C11H13N5O/c12-11(15-9-4-2-1-3-5-9)13-7-6-10-14-8-17-16-10/h1-5,8H,6-7H2,(H3,12,13,15)
InChIKeySPTBPRSIFDFUNN-UHFFFAOYSA-N
XLogP1.04
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.04
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

2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylguanidine
CID 106401275
1-phenyl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363835
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylguanidine
CID 103643251
2-(2-hydroxyethyl)-1-phenylguanidine
CID 57066728
1-phenyl-2-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 64529402
1-phenyl-2-(2-sulfanylethyl)guanidine
CID 27742
1-phenyl-2-(3-phenylpropyl)guanidine
CID 62362092
1-phenyl-2-(2-sulfanylethyl)guanidine;hydrochloride
CID 138398183
2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-phenylguanidine;hydroiodide
CID 110935533
2-[2-(2-chlorophenyl)ethyl]-1-phenylguanidine;hydroiodide
CID 110925966
1-phenyl-2-(2-thiophen-3-ylethyl)guanidine
CID 55063925
2-[2-(1,3-benzodioxol-5-yl)ethyl]-1-phenylguanidine
CID 110913854

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-phenylguanidine?
The IUPAC name of 2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-phenylguanidine (CID 106401269) is 2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-phenylguanidine.
What is the SMILES notation for 2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-phenylguanidine?
The canonical SMILES for 2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-phenylguanidine is N/C(=N\CCc1ncon1)Nc1ccccc1.
What is the InChIKey of 2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-phenylguanidine?
The InChIKey is SPTBPRSIFDFUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-11(15-9-4-2-1-3-5-9)13-7-6-10-14-8-17-16-10/h1-5,8H,6-7H2,(H3,12,13,15).
What are the key properties of 2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-phenylguanidine?
2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-phenylguanidine has a molecular weight of 231.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-phenylguanidine is sourced from PubChem (CID 106401269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).