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

C13H21N3O — CID 55102174

IUPAC3-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESNCCCc1noc(CC2CC3CCC2C3)n1
InChIInChI=1S/C13H21N3O/c14-5-1-2-12-15-13(17-16-12)8-11-7-9-3-4-10(11)6-9/h9-11H,1-8,14H2
InChIKeyXBWKKFGODJXPEK-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.94
Rot. Bonds5

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

3-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 55102174) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID55102174
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESNCCCc1noc(CC2CC3CCC2C3)n1
InChIInChI=1S/C13H21N3O/c14-5-1-2-12-15-13(17-16-12)8-11-7-9-3-4-10(11)6-9/h9-11H,1-8,14H2
InChIKeyXBWKKFGODJXPEK-UHFFFAOYSA-N
XLogP1.94
TPSA64.94 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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 55102174) is 3-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is NCCCc1noc(CC2CC3CCC2C3)n1.
What is the InChIKey of 3-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is XBWKKFGODJXPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-5-1-2-12-15-13(17-16-12)8-11-7-9-3-4-10(11)6-9/h9-11H,1-8,14H2.
What are the key properties of 3-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
3-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 55102174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).