2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine

C13H21N3O — CID 55065282

IUPAC2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
SMILESCNCCc1noc(CC2CC3CCC2C3)n1
InChIInChI=1S/C13H21N3O/c1-14-5-4-12-15-13(17-16-12)8-11-7-9-2-3-10(11)6-9/h9-11,14H,2-8H2,1H3
InChIKeyBBFNIYOQBQRGGM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.81
Rot. Bonds5

About 2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine

2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine (PubChem CID 55065282) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
PubChem CID55065282
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
SMILESCNCCc1noc(CC2CC3CCC2C3)n1
InChIInChI=1S/C13H21N3O/c1-14-5-4-12-15-13(17-16-12)8-11-7-9-2-3-10(11)6-9/h9-11,14H,2-8H2,1H3
InChIKeyBBFNIYOQBQRGGM-UHFFFAOYSA-N
XLogP1.81
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine (CID 55065282) is 2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine is CNCCc1noc(CC2CC3CCC2C3)n1.
What is the InChIKey of 2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The InChIKey is BBFNIYOQBQRGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-14-5-4-12-15-13(17-16-12)8-11-7-9-2-3-10(11)6-9/h9-11,14H,2-8H2,1H3.
What are the key properties of 2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine has a molecular weight of 235.33 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine is sourced from PubChem (CID 55065282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).