2,4-difluoro-5-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide

C21H20F2N4O3 — CID 56570825

About 2,4-difluoro-5-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide

2,4-difluoro-5-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide (PubChem CID 56570825) has the molecular formula C21H20F2N4O3 and a molecular weight of 414.41 g/mol. Its IUPAC name is 2,4-difluoro-5-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide.

Molecular Properties

• Compound Name: 2,4-difluoro-5-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
• PubChem CID: 56570825
• Molecular Formula: C21H20F2N4O3
• Molecular Weight: 414.41 g/mol
• Exact Mass: 414.15
• IUPAC Name: 2,4-difluoro-5-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
• SMILES: CC(C)c1ccc(-c2noc(CCC(=O)Nc3cc(C(N)=O)c(F)cc3F)n2)cc1
• InChI: InChI=1S/C21H20F2N4O3/c1-11(2)12-3-5-13(6-4-12)21-26-19(30-27-21)8-7-18(28)25-17-9-14(20(24)29)15(22)10-16(17)23/h3-6,9-11H,7-8H2,1-2H3,(H2,24,29)(H,25,28)
• InChIKey: WKCFGDYPXPEKTP-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 111.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.41
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?

The IUPAC name of 2,4-difluoro-5-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide (CID 56570825) is 2,4-difluoro-5-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide.

What is the SMILES notation for 2,4-difluoro-5-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?

The canonical SMILES for 2,4-difluoro-5-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide is CC(C)c1ccc(-c2noc(CCC(=O)Nc3cc(C(N)=O)c(F)cc3F)n2)cc1.

What is the InChIKey of 2,4-difluoro-5-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?

The InChIKey is WKCFGDYPXPEKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O3/c1-11(2)12-3-5-13(6-4-12)21-26-19(30-27-21)8-7-18(28)25-17-9-14(20(24)29)15(22)10-16(17)23/h3-6,9-11H,7-8H2,1-2H3,(H2,24,29)(H,25,28).

What are the key properties of 2,4-difluoro-5-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide?

2,4-difluoro-5-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide has a molecular weight of 414.41 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluoro-5-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide is sourced from PubChem (CID 56570825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).