1-(2,2-dibenzyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone

C23H21N3O2 — CID 1224407

IUPAC1-(2,2-dibenzyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone
SMILESCC(=O)N1N=C(c2ccncc2)OC1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H21N3O2/c1-18(27)26-23(16-19-8-4-2-5-9-19,17-20-10-6-3-7-11-20)28-22(25-26)21-12-14-24-15-13-21/h2-15H,16-17H2,1H3
InChIKeyALPZHLKDTMZRRD-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.80
Rot. Bonds5

About 1-(2,2-dibenzyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone

1-(2,2-dibenzyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone (PubChem CID 1224407) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(2,2-dibenzyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,2-dibenzyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone
PubChem CID1224407
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1-(2,2-dibenzyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone
SMILESCC(=O)N1N=C(c2ccncc2)OC1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H21N3O2/c1-18(27)26-23(16-19-8-4-2-5-9-19,17-20-10-6-3-7-11-20)28-22(25-26)21-12-14-24-15-13-21/h2-15H,16-17H2,1H3
InChIKeyALPZHLKDTMZRRD-UHFFFAOYSA-N
XLogP3.80
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dibenzyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-(2,2-dibenzyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone (CID 1224407) is 1-(2,2-dibenzyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-(2,2-dibenzyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-(2,2-dibenzyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone is CC(=O)N1N=C(c2ccncc2)OC1(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-(2,2-dibenzyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone?
The InChIKey is ALPZHLKDTMZRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-18(27)26-23(16-19-8-4-2-5-9-19,17-20-10-6-3-7-11-20)28-22(25-26)21-12-14-24-15-13-21/h2-15H,16-17H2,1H3.
What are the key properties of 1-(2,2-dibenzyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone?
1-(2,2-dibenzyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone has a molecular weight of 371.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dibenzyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 1224407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).