1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine

C12H20N4O — CID 106971050

IUPAC1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnc(N2CC3CCC2C3)o1
InChIInChI=1S/C12H20N4O/c1-3-13-8(2)11-14-15-12(17-11)16-7-9-4-5-10(16)6-9/h8-10,13H,3-7H2,1-2H3
InChIKeyILCUVJRHBRVSBU-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.73
Rot. Bonds4

About 1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine

1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine (PubChem CID 106971050) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
PubChem CID106971050
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnc(N2CC3CCC2C3)o1
InChIInChI=1S/C12H20N4O/c1-3-13-8(2)11-14-15-12(17-11)16-7-9-4-5-10(16)6-9/h8-10,13H,3-7H2,1-2H3
InChIKeyILCUVJRHBRVSBU-UHFFFAOYSA-N
XLogP1.73
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine (CID 106971050) is 1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine is CCNC(C)c1nnc(N2CC3CCC2C3)o1.
What is the InChIKey of 1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The InChIKey is ILCUVJRHBRVSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-13-8(2)11-14-15-12(17-11)16-7-9-4-5-10(16)6-9/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine has a molecular weight of 236.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 106971050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).