2-[1-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone

C₄₄H₅₀F₆N₈O₆ — CID 159984923

About 2-[1-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone

2-[1-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (PubChem CID 159984923) has the molecular formula C₄₄H₅₀F₆N₈O₆ and a molecular weight of 900.92 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.

Molecular Properties

• Compound Name: 2-[1-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
• PubChem CID: 159984923
• Molecular Formula: C₄₄H₅₀F₆N₈O₆
• Molecular Weight: 900.92 g/mol
• Exact Mass: 900.38
• IUPAC Name: 2-[1-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
• SMILES: COCCn1cc2cc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)ccc2n1.COCCn1ncc2cc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)ccc21
• InChI: InChI=1S/2C22H25F3N4O3/c1-14-4-3-7-28(13-14)21-27-20(22(23,24)25)19(32-21)18(30)11-15-5-6-17-16(10-15)12-26-29(17)8-9-31-2;1-14-4-3-7-28(12-14)21-26-20(22(23,24)25)19(32-21)18(30)11-15-5-6-17-16(10-15)13-29(27-17)8-9-31-2/h5-6,10,12,14H,3-4,7-9,11,13H2,1-2H3;5-6,10,13-14H,3-4,7-9,11-12H2,1-2H3
• InChIKey: OGFGCTWXUPCVRM-UHFFFAOYSA-N
• XLogP: 8.70
• TPSA: 146.78 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	900.92
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?

The IUPAC name of 2-[1-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (CID 159984923) is 2-[1-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.

What is the SMILES notation for 2-[1-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?

The canonical SMILES for 2-[1-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is COCCn1cc2cc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)ccc2n1.COCCn1ncc2cc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)ccc21.

What is the InChIKey of 2-[1-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?

The InChIKey is OGFGCTWXUPCVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H25F3N4O3/c1-14-4-3-7-28(13-14)21-27-20(22(23,24)25)19(32-21)18(30)11-15-5-6-17-16(10-15)12-26-29(17)8-9-31-2;1-14-4-3-7-28(12-14)21-26-20(22(23,24)25)19(32-21)18(30)11-15-5-6-17-16(10-15)13-29(27-17)8-9-31-2/h5-6,10,12,14H,3-4,7-9,11,13H2,1-2H3;5-6,10,13-14H,3-4,7-9,11-12H2,1-2H3.

What are the key properties of 2-[1-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?

2-[1-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone has a molecular weight of 900.92 g/mol, XLogP of 8.70, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[2-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 159984923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159984923 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.