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

C13H21N3O — CID 55102389

IUPAC2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(CN)c1noc(CC2CC3CCC2C3)n1
InChIInChI=1S/C13H21N3O/c1-8(7-14)13-15-12(17-16-13)6-11-5-9-2-3-10(11)4-9/h8-11H,2-7,14H2,1H3
InChIKeyZBSVPGNGZONWRW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.11
Rot. Bonds4

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

2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 55102389) 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]propan-1-amine.

Molecular Properties

Compound Name2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID55102389
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]propan-1-amine
SMILESCC(CN)c1noc(CC2CC3CCC2C3)n1
InChIInChI=1S/C13H21N3O/c1-8(7-14)13-15-12(17-16-13)6-11-5-9-2-3-10(11)4-9/h8-11H,2-7,14H2,1H3
InChIKeyZBSVPGNGZONWRW-UHFFFAOYSA-N
XLogP2.11
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.11
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]propan-1-amine?
The IUPAC name of 2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 55102389) is 2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CC(CN)c1noc(CC2CC3CCC2C3)n1.
What is the InChIKey of 2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is ZBSVPGNGZONWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8(7-14)13-15-12(17-16-13)6-11-5-9-2-3-10(11)4-9/h8-11H,2-7,14H2,1H3.
What are the key properties of 2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2-[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 2.11, 4 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]propan-1-amine is sourced from PubChem (CID 55102389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).