2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbenzamide

C21H16N4O3 — CID 665840

IUPAC2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccnc3)n2)cc1
InChIInChI=1S/C21H16N4O3/c1-27-16-10-8-14(9-11-16)19-24-21(28-25-19)18-7-3-2-6-17(18)20(26)23-15-5-4-12-22-13-15/h2-13H,1H3,(H,23,26)
InChIKeyXYPXKWFKOLIOOE-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.06
Rot. Bonds5

About 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbenzamide

2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbenzamide (PubChem CID 665840) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbenzamide
PubChem CID665840
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccnc3)n2)cc1
InChIInChI=1S/C21H16N4O3/c1-27-16-10-8-14(9-11-16)19-24-21(28-25-19)18-7-3-2-6-17(18)20(26)23-15-5-4-12-22-13-15/h2-13H,1H3,(H,23,26)
InChIKeyXYPXKWFKOLIOOE-UHFFFAOYSA-N
XLogP4.06
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbenzamide (CID 665840) is 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbenzamide is COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccnc3)n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbenzamide?
The InChIKey is XYPXKWFKOLIOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c1-27-16-10-8-14(9-11-16)19-24-21(28-25-19)18-7-3-2-6-17(18)20(26)23-15-5-4-12-22-13-15/h2-13H,1H3,(H,23,26).
What are the key properties of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbenzamide?
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbenzamide has a molecular weight of 372.38 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 665840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).