1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenylethanone

C22H22FN3O3 — CID 91918564

IUPAC1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCCC(c2noc(COc3ccccc3F)n2)C1
InChIInChI=1S/C22H22FN3O3/c23-18-10-4-5-11-19(18)28-15-20-24-22(25-29-20)17-9-6-12-26(14-17)21(27)13-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2
InChIKeyBDRYDZWIJRYPOP-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.74
Rot. Bonds6

About 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenylethanone

1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenylethanone (PubChem CID 91918564) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenylethanone
PubChem CID91918564
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCCC(c2noc(COc3ccccc3F)n2)C1
InChIInChI=1S/C22H22FN3O3/c23-18-10-4-5-11-19(18)28-15-20-24-22(25-29-20)17-9-6-12-26(14-17)21(27)13-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2
InChIKeyBDRYDZWIJRYPOP-UHFFFAOYSA-N
XLogP3.74
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenylethanone (CID 91918564) is 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCCC(c2noc(COc3ccccc3F)n2)C1.
What is the InChIKey of 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenylethanone?
The InChIKey is BDRYDZWIJRYPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c23-18-10-4-5-11-19(18)28-15-20-24-22(25-29-20)17-9-6-12-26(14-17)21(27)13-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2.
What are the key properties of 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenylethanone?
1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenylethanone has a molecular weight of 395.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 91918564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).