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

C16H15N3O2 — CID 3157935

IUPAC1-[5-(4-methylphenyl)-2-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(C)cc2)OC1c1cccnc1
InChIInChI=1S/C16H15N3O2/c1-11-5-7-13(8-6-11)15-18-19(12(2)20)16(21-15)14-4-3-9-17-10-14/h3-10,16H,1-2H3
InChIKeyHMRGIAXRUAXFMG-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.63
Rot. Bonds2

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

1-[5-(4-methylphenyl)-2-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 3157935) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-2-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-2-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID3157935
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name1-[5-(4-methylphenyl)-2-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(C)cc2)OC1c1cccnc1
InChIInChI=1S/C16H15N3O2/c1-11-5-7-13(8-6-11)15-18-19(12(2)20)16(21-15)14-4-3-9-17-10-14/h3-10,16H,1-2H3
InChIKeyHMRGIAXRUAXFMG-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 ≤ 500281.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-2-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[5-(4-methylphenyl)-2-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 3157935) is 1-[5-(4-methylphenyl)-2-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(4-methylphenyl)-2-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(4-methylphenyl)-2-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2ccc(C)cc2)OC1c1cccnc1.
What is the InChIKey of 1-[5-(4-methylphenyl)-2-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is HMRGIAXRUAXFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-5-7-13(8-6-11)15-18-19(12(2)20)16(21-15)14-4-3-9-17-10-14/h3-10,16H,1-2H3.
What are the key properties of 1-[5-(4-methylphenyl)-2-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[5-(4-methylphenyl)-2-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 281.32 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-[5-(4-methylphenyl)-2-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 3157935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).