5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole

C15H11N3O — CID 5348455

IUPAC5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESC(=C/c1nc(-c2cccnc2)no1)\c1ccccc1
InChIInChI=1S/C15H11N3O/c1-2-5-12(6-3-1)8-9-14-17-15(18-19-14)13-7-4-10-16-11-13/h1-11H/b9-8+
InChIKeyYBWXOJJHLJGREL-CMDGGOBGSA-N
MW249.27 g/mol
LogP3.30
Rot. Bonds3

About 5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 5348455) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID5348455
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESC(=C/c1nc(-c2cccnc2)no1)\c1ccccc1
InChIInChI=1S/C15H11N3O/c1-2-5-12(6-3-1)8-9-14-17-15(18-19-14)13-7-4-10-16-11-13/h1-11H/b9-8+
InChIKeyYBWXOJJHLJGREL-CMDGGOBGSA-N
XLogP3.30
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 5348455) is 5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole is C(=C/c1nc(-c2cccnc2)no1)\c1ccccc1.
What is the InChIKey of 5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is YBWXOJJHLJGREL-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H11N3O/c1-2-5-12(6-3-1)8-9-14-17-15(18-19-14)13-7-4-10-16-11-13/h1-11H/b9-8+.
What are the key properties of 5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 249.27 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 5348455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).