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

C16H15N3O — CID 752286

IUPAC5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(CCCc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C16H15N3O/c1-2-7-13(8-3-1)9-6-11-15-18-16(19-20-15)14-10-4-5-12-17-14/h1-5,7-8,10,12H,6,9,11H2
InChIKeyAKTYUZVBGJIVMV-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.31
Rot. Bonds5

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

5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 752286) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID752286
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(CCCc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C16H15N3O/c1-2-7-13(8-3-1)9-6-11-15-18-16(19-20-15)14-10-4-5-12-17-14/h1-5,7-8,10,12H,6,9,11H2
InChIKeyAKTYUZVBGJIVMV-UHFFFAOYSA-N
XLogP3.31
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 752286) is 5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole is c1ccc(CCCc2nc(-c3ccccn3)no2)cc1.
What is the InChIKey of 5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is AKTYUZVBGJIVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-7-13(8-3-1)9-6-11-15-18-16(19-20-15)14-10-4-5-12-17-14/h1-5,7-8,10,12H,6,9,11H2.
What are the key properties of 5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 265.32 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 752286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).