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

C18H18N4O2 — CID 91917674

IUPAC2-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESCC(C(=O)NCCc1noc(-c2cccnc2)n1)c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-13(14-6-3-2-4-7-14)17(23)20-11-9-16-21-18(24-22-16)15-8-5-10-19-12-15/h2-8,10,12-13H,9,11H2,1H3,(H,20,23)
InChIKeyYFIUWKCMLKNLLN-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.59
Rot. Bonds6

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

2-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide (PubChem CID 91917674) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
PubChem CID91917674
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESCC(C(=O)NCCc1noc(-c2cccnc2)n1)c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-13(14-6-3-2-4-7-14)17(23)20-11-9-16-21-18(24-22-16)15-8-5-10-19-12-15/h2-8,10,12-13H,9,11H2,1H3,(H,20,23)
InChIKeyYFIUWKCMLKNLLN-UHFFFAOYSA-N
XLogP2.59
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The IUPAC name of 2-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide (CID 91917674) is 2-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The canonical SMILES for 2-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide is CC(C(=O)NCCc1noc(-c2cccnc2)n1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The InChIKey is YFIUWKCMLKNLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13(14-6-3-2-4-7-14)17(23)20-11-9-16-21-18(24-22-16)15-8-5-10-19-12-15/h2-8,10,12-13H,9,11H2,1H3,(H,20,23).
What are the key properties of 2-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
2-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide has a molecular weight of 322.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 91917674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).