3-N-(1,3-oxazol-5-yl)-1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide

C21H19N7O3 — CID 153449821

About 3-N-(1,3-oxazol-5-yl)-1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide

3-N-(1,3-oxazol-5-yl)-1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide (PubChem CID 153449821) has the molecular formula C21H19N7O3 and a molecular weight of 417.43 g/mol. Its IUPAC name is 3-N-(1,3-oxazol-5-yl)-1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-(1,3-oxazol-5-yl)-1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide
• PubChem CID: 153449821
• Molecular Formula: C21H19N7O3
• Molecular Weight: 417.43 g/mol
• Exact Mass: 417.15
• IUPAC Name: 3-N-(1,3-oxazol-5-yl)-1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide
• SMILES: CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(C(=O)Nc3cnco3)c2)n1
• InChI: InChI=1S/C21H19N7O3/c1-13(2)28-11-23-27-19(28)16-7-4-8-17(24-16)25-20(29)14-5-3-6-15(9-14)21(30)26-18-10-22-12-31-18/h3-13H,1-2H3,(H,26,30)(H,24,25,29)
• InChIKey: VWRDCBMCWOGTBN-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 127.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.43
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,3-oxazol-5-yl)-1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide?

The IUPAC name of 3-N-(1,3-oxazol-5-yl)-1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide (CID 153449821) is 3-N-(1,3-oxazol-5-yl)-1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide.

What is the SMILES notation for 3-N-(1,3-oxazol-5-yl)-1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide?

The canonical SMILES for 3-N-(1,3-oxazol-5-yl)-1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(C(=O)Nc3cnco3)c2)n1.

What is the InChIKey of 3-N-(1,3-oxazol-5-yl)-1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide?

The InChIKey is VWRDCBMCWOGTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O3/c1-13(2)28-11-23-27-19(28)16-7-4-8-17(24-16)25-20(29)14-5-3-6-15(9-14)21(30)26-18-10-22-12-31-18/h3-13H,1-2H3,(H,26,30)(H,24,25,29).

What are the key properties of 3-N-(1,3-oxazol-5-yl)-1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide?

3-N-(1,3-oxazol-5-yl)-1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide has a molecular weight of 417.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-(1,3-oxazol-5-yl)-1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 153449821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).