2-(4-fluorophenoxy)-1-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone

C20H23FN6O3 — CID 91891873

IUPAC2-(4-fluorophenoxy)-1-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(C)c1noc(-c2cn(C3CCN(C(=O)COc4ccc(F)cc4)CC3)nn2)n1
InChIInChI=1S/C20H23FN6O3/c1-13(2)19-22-20(30-24-19)17-11-27(25-23-17)15-7-9-26(10-8-15)18(28)12-29-16-5-3-14(21)4-6-16/h3-6,11,13,15H,7-10,12H2,1-2H3
InChIKeyWGGPDZCDBUPZHI-UHFFFAOYSA-N
MW414.44 g/mol
LogP2.83
Rot. Bonds6

About 2-(4-fluorophenoxy)-1-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone

2-(4-fluorophenoxy)-1-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 91891873) has the molecular formula C20H23FN6O3 and a molecular weight of 414.44 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone
PubChem CID91891873
Molecular FormulaC20H23FN6O3
Molecular Weight414.44 g/mol
Exact Mass414.18
IUPAC Name2-(4-fluorophenoxy)-1-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(C)c1noc(-c2cn(C3CCN(C(=O)COc4ccc(F)cc4)CC3)nn2)n1
InChIInChI=1S/C20H23FN6O3/c1-13(2)19-22-20(30-24-19)17-11-27(25-23-17)15-7-9-26(10-8-15)18(28)12-29-16-5-3-14(21)4-6-16/h3-6,11,13,15H,7-10,12H2,1-2H3
InChIKeyWGGPDZCDBUPZHI-UHFFFAOYSA-N
XLogP2.83
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone (CID 91891873) is 2-(4-fluorophenoxy)-1-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone is CC(C)c1noc(-c2cn(C3CCN(C(=O)COc4ccc(F)cc4)CC3)nn2)n1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is WGGPDZCDBUPZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O3/c1-13(2)19-22-20(30-24-19)17-11-27(25-23-17)15-7-9-26(10-8-15)18(28)12-29-16-5-3-14(21)4-6-16/h3-6,11,13,15H,7-10,12H2,1-2H3.
What are the key properties of 2-(4-fluorophenoxy)-1-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone?
2-(4-fluorophenoxy)-1-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 414.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91891873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).