2-[2-[2-(2-amino-1,3-oxazol-5-yl)ethylamino]ethyl]guanidine

C8H16N6O — CID 20567851

IUPAC2-[2-[2-(2-amino-1,3-oxazol-5-yl)ethylamino]ethyl]guanidine
SMILESNC(N)=NCCNCCc1cnc(N)o1
InChIInChI=1S/C8H16N6O/c9-7(10)13-4-3-12-2-1-6-5-14-8(11)15-6/h5,12H,1-4H2,(H2,11,14)(H4,9,10,13)
InChIKeyXOHDLYCPTOWJRE-UHFFFAOYSA-N
MW212.26 g/mol
LogP-1.34
Rot. Bonds6

About 2-[2-[2-(2-amino-1,3-oxazol-5-yl)ethylamino]ethyl]guanidine

2-[2-[2-(2-amino-1,3-oxazol-5-yl)ethylamino]ethyl]guanidine (PubChem CID 20567851) has the molecular formula C8H16N6O and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-[2-[2-(2-amino-1,3-oxazol-5-yl)ethylamino]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[2-(2-amino-1,3-oxazol-5-yl)ethylamino]ethyl]guanidine
PubChem CID20567851
Molecular FormulaC8H16N6O
Molecular Weight212.26 g/mol
Exact Mass212.14
IUPAC Name2-[2-[2-(2-amino-1,3-oxazol-5-yl)ethylamino]ethyl]guanidine
SMILESNC(N)=NCCNCCc1cnc(N)o1
InChIInChI=1S/C8H16N6O/c9-7(10)13-4-3-12-2-1-6-5-14-8(11)15-6/h5,12H,1-4H2,(H2,11,14)(H4,9,10,13)
InChIKeyXOHDLYCPTOWJRE-UHFFFAOYSA-N
XLogP-1.34
TPSA128.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-amino-1,3-oxazol-5-yl)ethylamino]ethyl]guanidine?
The IUPAC name of 2-[2-[2-(2-amino-1,3-oxazol-5-yl)ethylamino]ethyl]guanidine (CID 20567851) is 2-[2-[2-(2-amino-1,3-oxazol-5-yl)ethylamino]ethyl]guanidine.
What is the SMILES notation for 2-[2-[2-(2-amino-1,3-oxazol-5-yl)ethylamino]ethyl]guanidine?
The canonical SMILES for 2-[2-[2-(2-amino-1,3-oxazol-5-yl)ethylamino]ethyl]guanidine is NC(N)=NCCNCCc1cnc(N)o1.
What is the InChIKey of 2-[2-[2-(2-amino-1,3-oxazol-5-yl)ethylamino]ethyl]guanidine?
The InChIKey is XOHDLYCPTOWJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O/c9-7(10)13-4-3-12-2-1-6-5-14-8(11)15-6/h5,12H,1-4H2,(H2,11,14)(H4,9,10,13).
What are the key properties of 2-[2-[2-(2-amino-1,3-oxazol-5-yl)ethylamino]ethyl]guanidine?
2-[2-[2-(2-amino-1,3-oxazol-5-yl)ethylamino]ethyl]guanidine has a molecular weight of 212.26 g/mol, XLogP of -1.34, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-amino-1,3-oxazol-5-yl)ethylamino]ethyl]guanidine is sourced from PubChem (CID 20567851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).