3-methyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide

C17H16N4O2 — CID 91917667

IUPAC3-methyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2noc(-c3cccnc3)n2)c1
InChIInChI=1S/C17H16N4O2/c1-12-4-2-5-13(10-12)16(22)19-9-7-15-20-17(23-21-15)14-6-3-8-18-11-14/h2-6,8,10-11H,7,9H2,1H3,(H,19,22)
InChIKeyXHLONTUBVADFAU-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.41
Rot. Bonds5

About 3-methyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide

3-methyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide (PubChem CID 91917667) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-methyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
PubChem CID91917667
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-methyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2noc(-c3cccnc3)n2)c1
InChIInChI=1S/C17H16N4O2/c1-12-4-2-5-13(10-12)16(22)19-9-7-15-20-17(23-21-15)14-6-3-8-18-11-14/h2-6,8,10-11H,7,9H2,1H3,(H,19,22)
InChIKeyXHLONTUBVADFAU-UHFFFAOYSA-N
XLogP2.41
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide (CID 91917667) is 3-methyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide is Cc1cccc(C(=O)NCCc2noc(-c3cccnc3)n2)c1.
What is the InChIKey of 3-methyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The InChIKey is XHLONTUBVADFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-4-2-5-13(10-12)16(22)19-9-7-15-20-17(23-21-15)14-6-3-8-18-11-14/h2-6,8,10-11H,7,9H2,1H3,(H,19,22).
What are the key properties of 3-methyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
3-methyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 91917667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).