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

C15H13N3O — CID 867086

IUPAC5-(4-ethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCc1ccc(-c2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C15H13N3O/c1-2-11-3-5-13(6-4-11)15-17-14(18-19-15)12-7-9-16-10-8-12/h3-10H,2H2,1H3
InChIKeyXLATUMJPSZJWSY-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.36
Rot. Bonds3

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

5-(4-ethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 867086) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-ethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID867086
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name5-(4-ethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCc1ccc(-c2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C15H13N3O/c1-2-11-3-5-13(6-4-11)15-17-14(18-19-15)12-7-9-16-10-8-12/h3-10H,2H2,1H3
InChIKeyXLATUMJPSZJWSY-UHFFFAOYSA-N
XLogP3.36
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-ethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 867086) is 5-(4-ethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-ethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-ethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is CCc1ccc(-c2nc(-c3ccncc3)no2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is XLATUMJPSZJWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-2-11-3-5-13(6-4-11)15-17-14(18-19-15)12-7-9-16-10-8-12/h3-10H,2H2,1H3.
What are the key properties of 5-(4-ethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(4-ethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 251.29 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 867086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).