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

C18H19N3O2 — CID 3107379

IUPAC1-[2-(4-propan-2-ylphenyl)-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2cccnc2)OC1c1ccc(C(C)C)cc1
InChIInChI=1S/C18H19N3O2/c1-12(2)14-6-8-15(9-7-14)18-21(13(3)22)20-17(23-18)16-5-4-10-19-11-16/h4-12,18H,1-3H3
InChIKeyHBZIFSSIULDIJH-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.44
Rot. Bonds3

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

1-[2-(4-propan-2-ylphenyl)-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 3107379) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylphenyl)-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylphenyl)-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID3107379
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-[2-(4-propan-2-ylphenyl)-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2cccnc2)OC1c1ccc(C(C)C)cc1
InChIInChI=1S/C18H19N3O2/c1-12(2)14-6-8-15(9-7-14)18-21(13(3)22)20-17(23-18)16-5-4-10-19-11-16/h4-12,18H,1-3H3
InChIKeyHBZIFSSIULDIJH-UHFFFAOYSA-N
XLogP3.44
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylphenyl)-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[2-(4-propan-2-ylphenyl)-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 3107379) is 1-[2-(4-propan-2-ylphenyl)-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[2-(4-propan-2-ylphenyl)-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[2-(4-propan-2-ylphenyl)-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2cccnc2)OC1c1ccc(C(C)C)cc1.
What is the InChIKey of 1-[2-(4-propan-2-ylphenyl)-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is HBZIFSSIULDIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12(2)14-6-8-15(9-7-14)18-21(13(3)22)20-17(23-18)16-5-4-10-19-11-16/h4-12,18H,1-3H3.
What are the key properties of 1-[2-(4-propan-2-ylphenyl)-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[2-(4-propan-2-ylphenyl)-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 309.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylphenyl)-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 3107379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).