1-[2-(4-methylphenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone

C16H15N3O2 — CID 51064892

IUPAC1-[2-(4-methylphenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccncc2)OC1c1ccc(C)cc1
InChIInChI=1S/C16H15N3O2/c1-11-3-5-14(6-4-11)16-19(12(2)20)18-15(21-16)13-7-9-17-10-8-13/h3-10,16H,1-2H3
InChIKeyXISDTTURECYWES-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.63
Rot. Bonds2

About 1-[2-(4-methylphenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone

1-[2-(4-methylphenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 51064892) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID51064892
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name1-[2-(4-methylphenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccncc2)OC1c1ccc(C)cc1
InChIInChI=1S/C16H15N3O2/c1-11-3-5-14(6-4-11)16-19(12(2)20)18-15(21-16)13-7-9-17-10-8-13/h3-10,16H,1-2H3
InChIKeyXISDTTURECYWES-UHFFFAOYSA-N
XLogP2.63
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-methylphenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[2-(4-methylphenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 51064892) is 1-[2-(4-methylphenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methylphenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[2-(4-methylphenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2ccncc2)OC1c1ccc(C)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is XISDTTURECYWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-3-5-14(6-4-11)16-19(12(2)20)18-15(21-16)13-7-9-17-10-8-13/h3-10,16H,1-2H3.
What are the key properties of 1-[2-(4-methylphenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[2-(4-methylphenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 281.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 51064892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).