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

C22H25F3N4O3 — CID 58429192

IUPAC2-[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
InChIInChI=1S/C22H25F3N4O3/c1-14-4-3-7-28(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/h5-6,10,13-14H,3-4,7-9,11-12H2,1-2H3
InChIKeyMAWOYHZOYUUJCQ-UHFFFAOYSA-N
MW450.46 g/mol
LogP4.35
Rot. Bonds7

About 2-[2-(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 58429192) has the molecular formula C22H25F3N4O3 and a molecular weight of 450.46 g/mol. Its IUPAC name is 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-[2-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
PubChem CID58429192
Molecular FormulaC22H25F3N4O3
Molecular Weight450.46 g/mol
Exact Mass450.19
IUPAC Name2-[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
InChIInChI=1S/C22H25F3N4O3/c1-14-4-3-7-28(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/h5-6,10,13-14H,3-4,7-9,11-12H2,1-2H3
InChIKeyMAWOYHZOYUUJCQ-UHFFFAOYSA-N
XLogP4.35
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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-[2-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (CID 58429192) is 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-[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-[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.
What is the InChIKey of 2-[2-(2-methoxyethyl)indazol-5-yl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The InChIKey is MAWOYHZOYUUJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O3/c1-14-4-3-7-28(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/h5-6,10,13-14H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of 2-[2-(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 450.46 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 58429192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).