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

IUPAC2-[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
SMILESCOCCn1cc2cc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)ccc2n1.COCCn1ncc2cc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)ccc21
InChIInChI=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
InChIKeyOGFGCTWXUPCVRM-UHFFFAOYSA-N
MW900.92 g/mol
LogP8.70
Rot. Bonds14

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 Name2-[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 CID159984923
Molecular FormulaC44H50F6N8O6
Molecular Weight900.92 g/mol
Exact Mass900.38
IUPAC Name2-[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
SMILESCOCCn1cc2cc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)ccc2n1.COCCn1ncc2cc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)ccc21
InChIInChI=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
InChIKeyOGFGCTWXUPCVRM-UHFFFAOYSA-N
XLogP8.70
TPSA146.78 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500900.92
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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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).