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

C15H17N7O2 — CID 91796955

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

2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 91796955) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
• PubChem CID: 91796955
• Molecular Formula: C15H17N7O2
• Molecular Weight: 327.35 g/mol
• Exact Mass: 327.14
• IUPAC Name: 2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
• SMILES: CC(Cn1cncn1)C(=O)NCCc1nc(-c2ccccn2)no1
• InChI: InChI=1S/C15H17N7O2/c1-11(8-22-10-16-9-19-22)15(23)18-7-5-13-20-14(21-24-13)12-4-2-3-6-17-12/h2-4,6,9-11H,5,7-8H2,1H3,(H,18,23)
• InChIKey: IBHIBRXRAXHZCO-UHFFFAOYSA-N
• XLogP: 0.72
• TPSA: 111.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.35
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?

The IUPAC name of 2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 91796955) is 2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide.

What is the SMILES notation for 2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?

The canonical SMILES for 2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide is CC(Cn1cncn1)C(=O)NCCc1nc(-c2ccccn2)no1.

What is the InChIKey of 2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?

The InChIKey is IBHIBRXRAXHZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c1-11(8-22-10-16-9-19-22)15(23)18-7-5-13-20-14(21-24-13)12-4-2-3-6-17-12/h2-4,6,9-11H,5,7-8H2,1H3,(H,18,23).

What are the key properties of 2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?

2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 327.35 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 91796955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).