4-ethoxy-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C16H14N4O3 — CID 4134439

IUPAC4-ethoxy-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2nnc(-c3ccccn3)o2)cc1
InChIInChI=1S/C16H14N4O3/c1-2-22-12-8-6-11(7-9-12)14(21)18-16-20-19-15(23-16)13-5-3-4-10-17-13/h3-10H,2H2,1H3,(H,18,20,21)
InChIKeyQAEIACMNQTVTMX-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.78
Rot. Bonds5

About 4-ethoxy-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide

4-ethoxy-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 4134439) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 4-ethoxy-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID4134439
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name4-ethoxy-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2nnc(-c3ccccn3)o2)cc1
InChIInChI=1S/C16H14N4O3/c1-2-22-12-8-6-11(7-9-12)14(21)18-16-20-19-15(23-16)13-5-3-4-10-17-13/h3-10H,2H2,1H3,(H,18,20,21)
InChIKeyQAEIACMNQTVTMX-UHFFFAOYSA-N
XLogP2.78
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-ethoxy-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 4134439) is 4-ethoxy-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-ethoxy-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide is CCOc1ccc(C(=O)Nc2nnc(-c3ccccn3)o2)cc1.
What is the InChIKey of 4-ethoxy-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is QAEIACMNQTVTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-2-22-12-8-6-11(7-9-12)14(21)18-16-20-19-15(23-16)13-5-3-4-10-17-13/h3-10H,2H2,1H3,(H,18,20,21).
What are the key properties of 4-ethoxy-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-ethoxy-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 310.31 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 4134439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).