4-[[2-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-N-pyridin-2-ylbenzamide

C21H16N4O3 — CID 69073439

IUPAC4-[[2-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccc(COc2ccccc2-c2nnco2)cc1
InChIInChI=1S/C21H16N4O3/c26-20(24-19-7-3-4-12-22-19)16-10-8-15(9-11-16)13-27-18-6-2-1-5-17(18)21-25-23-14-28-21/h1-12,14H,13H2,(H,22,24,26)
InChIKeyHRIFQWCZEUDHRI-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.96
Rot. Bonds6

About 4-[[2-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-N-pyridin-2-ylbenzamide

4-[[2-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-N-pyridin-2-ylbenzamide (PubChem CID 69073439) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 4-[[2-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-N-pyridin-2-ylbenzamide
PubChem CID69073439
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name4-[[2-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccc(COc2ccccc2-c2nnco2)cc1
InChIInChI=1S/C21H16N4O3/c26-20(24-19-7-3-4-12-22-19)16-10-8-15(9-11-16)13-27-18-6-2-1-5-17(18)21-25-23-14-28-21/h1-12,14H,13H2,(H,22,24,26)
InChIKeyHRIFQWCZEUDHRI-UHFFFAOYSA-N
XLogP3.96
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-[[2-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-N-pyridin-2-ylbenzamide (CID 69073439) is 4-[[2-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[[2-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[[2-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-N-pyridin-2-ylbenzamide is O=C(Nc1ccccn1)c1ccc(COc2ccccc2-c2nnco2)cc1.
What is the InChIKey of 4-[[2-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-N-pyridin-2-ylbenzamide?
The InChIKey is HRIFQWCZEUDHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c26-20(24-19-7-3-4-12-22-19)16-10-8-15(9-11-16)13-27-18-6-2-1-5-17(18)21-25-23-14-28-21/h1-12,14H,13H2,(H,22,24,26).
What are the key properties of 4-[[2-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-N-pyridin-2-ylbenzamide?
4-[[2-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-N-pyridin-2-ylbenzamide has a molecular weight of 372.38 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 69073439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).