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

C16H16N4O — CID 63793713

IUPAC2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
SMILESNCCc1cccc(-c2nc(Cc3ccccn3)no2)c1
InChIInChI=1S/C16H16N4O/c17-8-7-12-4-3-5-13(10-12)16-19-15(20-21-16)11-14-6-1-2-9-18-14/h1-6,9-10H,7-8,11,17H2
InChIKeyZPPWFPWUFYMALD-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.22
Rot. Bonds5

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

2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine (PubChem CID 63793713) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
PubChem CID63793713
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
SMILESNCCc1cccc(-c2nc(Cc3ccccn3)no2)c1
InChIInChI=1S/C16H16N4O/c17-8-7-12-4-3-5-13(10-12)16-19-15(20-21-16)11-14-6-1-2-9-18-14/h1-6,9-10H,7-8,11,17H2
InChIKeyZPPWFPWUFYMALD-UHFFFAOYSA-N
XLogP2.22
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The IUPAC name of 2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine (CID 63793713) is 2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine.
What is the SMILES notation for 2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The canonical SMILES for 2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine is NCCc1cccc(-c2nc(Cc3ccccn3)no2)c1.
What is the InChIKey of 2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The InChIKey is ZPPWFPWUFYMALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-8-7-12-4-3-5-13(10-12)16-19-15(20-21-16)11-14-6-1-2-9-18-14/h1-6,9-10H,7-8,11,17H2.
What are the key properties of 2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine has a molecular weight of 280.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine is sourced from PubChem (CID 63793713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).