5-[2-(2-phenylethyl)phenyl]-3-pyridin-2-yl-1,2,4-oxadiazole

C21H17N3O — CID 1254062

IUPAC5-[2-(2-phenylethyl)phenyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(CCc2ccccc2-c2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C21H17N3O/c1-2-8-16(9-3-1)13-14-17-10-4-5-11-18(17)21-23-20(24-25-21)19-12-6-7-15-22-19/h1-12,15H,13-14H2
InChIKeyQEOUCCFXGFECGP-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.58
Rot. Bonds5

About 5-[2-(2-phenylethyl)phenyl]-3-pyridin-2-yl-1,2,4-oxadiazole

5-[2-(2-phenylethyl)phenyl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 1254062) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-[2-(2-phenylethyl)phenyl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(2-phenylethyl)phenyl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID1254062
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name5-[2-(2-phenylethyl)phenyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(CCc2ccccc2-c2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C21H17N3O/c1-2-8-16(9-3-1)13-14-17-10-4-5-11-18(17)21-23-20(24-25-21)19-12-6-7-15-22-19/h1-12,15H,13-14H2
InChIKeyQEOUCCFXGFECGP-UHFFFAOYSA-N
XLogP4.58
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-phenylethyl)phenyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(2-phenylethyl)phenyl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 1254062) is 5-[2-(2-phenylethyl)phenyl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(2-phenylethyl)phenyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(2-phenylethyl)phenyl]-3-pyridin-2-yl-1,2,4-oxadiazole is c1ccc(CCc2ccccc2-c2nc(-c3ccccn3)no2)cc1.
What is the InChIKey of 5-[2-(2-phenylethyl)phenyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is QEOUCCFXGFECGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-2-8-16(9-3-1)13-14-17-10-4-5-11-18(17)21-23-20(24-25-21)19-12-6-7-15-22-19/h1-12,15H,13-14H2.
What are the key properties of 5-[2-(2-phenylethyl)phenyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[2-(2-phenylethyl)phenyl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 327.39 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-phenylethyl)phenyl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 1254062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).