5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide

C15H16N6O3 — CID 121078976

About 5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 121078976) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 121078976
• Molecular Formula: C15H16N6O3
• Molecular Weight: 328.33 g/mol
• Exact Mass: 328.13
• IUPAC Name: 5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(C(=O)NCCn2nc(-c3cccnc3)n(C)c2=O)no1
• InChI: InChI=1S/C15H16N6O3/c1-10-8-12(19-24-10)14(22)17-6-7-21-15(23)20(2)13(18-21)11-4-3-5-16-9-11/h3-5,8-9H,6-7H2,1-2H3,(H,17,22)
• InChIKey: BZHBOQVTZSYFHD-UHFFFAOYSA-N
• XLogP: 0.37
• TPSA: 107.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.33
LogP ≤ 5	0.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 121078976) is 5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCn2nc(-c3cccnc3)n(C)c2=O)no1.

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

The InChIKey is BZHBOQVTZSYFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-10-8-12(19-24-10)14(22)17-6-7-21-15(23)20(2)13(18-21)11-4-3-5-16-9-11/h3-5,8-9H,6-7H2,1-2H3,(H,17,22).

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

5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 121078976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).