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

C8H15N5O — CID 106401275

IUPAC2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CCc1ncon1
InChIInChI=1S/C8H15N5O/c1-6(2)12-8(9)10-4-3-7-11-5-14-13-7/h5-6H,3-4H2,1-2H3,(H3,9,10,12)
InChIKeySSZGKYCTBVKIOU-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.08
Rot. Bonds4

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

2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylguanidine (PubChem CID 106401275) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylguanidine
PubChem CID106401275
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CCc1ncon1
InChIInChI=1S/C8H15N5O/c1-6(2)12-8(9)10-4-3-7-11-5-14-13-7/h5-6H,3-4H2,1-2H3,(H3,9,10,12)
InChIKeySSZGKYCTBVKIOU-UHFFFAOYSA-N
XLogP-0.08
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 ≤ 5-0.08
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-phenylguanidine
CID 106401269
1-propan-2-yl-2-[2-(1,3-thiazol-4-yl)ethyl]guanidine
CID 63825556
1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363919
1-propan-2-yl-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111809405
2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 110912022
1-propan-2-yl-2-[2-(3,4,5-trifluorophenyl)ethyl]guanidine;hydroiodide
CID 110018357
6-amino-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hexanamide
CID 106397604
N-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
CID 106401246
2-[2-(3,4-diethoxyphenyl)ethyl]-1-propan-2-ylguanidine
CID 111026044
2-(2-phenoxyethyl)-1-propan-2-ylguanidine
CID 62361568
2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
CID 110912278
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106396857

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylguanidine (CID 106401275) is 2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylguanidine is CC(C)N/C(N)=N/CCc1ncon1.
What is the InChIKey of 2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylguanidine?
The InChIKey is SSZGKYCTBVKIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-6(2)12-8(9)10-4-3-7-11-5-14-13-7/h5-6H,3-4H2,1-2H3,(H3,9,10,12).
What are the key properties of 2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylguanidine?
2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylguanidine has a molecular weight of 197.24 g/mol, XLogP of -0.08, 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-propan-2-ylguanidine is sourced from PubChem (CID 106401275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).