2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine

C13H15N3O — CID 55237242

IUPAC2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
SMILESNCCc1cccc(-c2nc(C3CC3)no2)c1
InChIInChI=1S/C13H15N3O/c14-7-6-9-2-1-3-11(8-9)13-15-12(16-17-13)10-4-5-10/h1-3,8,10H,4-7,14H2
InChIKeyATUIJGXLQCFOAU-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.12
Rot. Bonds4

About 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine

2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine (PubChem CID 55237242) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
PubChem CID55237242
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
SMILESNCCc1cccc(-c2nc(C3CC3)no2)c1
InChIInChI=1S/C13H15N3O/c14-7-6-9-2-1-3-11(8-9)13-15-12(16-17-13)10-4-5-10/h1-3,8,10H,4-7,14H2
InChIKeyATUIJGXLQCFOAU-UHFFFAOYSA-N
XLogP2.12
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine (CID 55237242) is 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine is NCCc1cccc(-c2nc(C3CC3)no2)c1.
What is the InChIKey of 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine?
The InChIKey is ATUIJGXLQCFOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-7-6-9-2-1-3-11(8-9)13-15-12(16-17-13)10-4-5-10/h1-3,8,10H,4-7,14H2.
What are the key properties of 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine?
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine has a molecular weight of 229.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine is sourced from PubChem (CID 55237242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).