5-(1-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole

C16H15N3O — CID 2924453

IUPAC5-(1-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCCC(c1ccccc1)c1nc(-c2ccccn2)no1
InChIInChI=1S/C16H15N3O/c1-2-13(12-8-4-3-5-9-12)16-18-15(19-20-16)14-10-6-7-11-17-14/h3-11,13H,2H2,1H3
InChIKeyUWJDXBMJSWLFMS-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.67
Rot. Bonds4

About 5-(1-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole

5-(1-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 2924453) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-(1-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID2924453
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-(1-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCCC(c1ccccc1)c1nc(-c2ccccn2)no1
InChIInChI=1S/C16H15N3O/c1-2-13(12-8-4-3-5-9-12)16-18-15(19-20-16)14-10-6-7-11-17-14/h3-11,13H,2H2,1H3
InChIKeyUWJDXBMJSWLFMS-UHFFFAOYSA-N
XLogP3.67
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 2924453) is 5-(1-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole is CCC(c1ccccc1)c1nc(-c2ccccn2)no1.
What is the InChIKey of 5-(1-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is UWJDXBMJSWLFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-13(12-8-4-3-5-9-12)16-18-15(19-20-16)14-10-6-7-11-17-14/h3-11,13H,2H2,1H3.
What are the key properties of 5-(1-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(1-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 265.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2924453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).