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

C21H20FN3O2 — CID 654525

IUPAC1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C21H20FN3O2/c22-18-8-6-16(7-9-18)20-23-21(27-24-20)17-10-12-25(13-11-17)19(26)14-15-4-2-1-3-5-15/h1-9,17H,10-14H2
InChIKeyYVEUUHAFDYEHHN-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.82
Rot. Bonds4

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

1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone (PubChem CID 654525) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone
PubChem CID654525
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C21H20FN3O2/c22-18-8-6-16(7-9-18)20-23-21(27-24-20)17-10-12-25(13-11-17)19(26)14-15-4-2-1-3-5-15/h1-9,17H,10-14H2
InChIKeyYVEUUHAFDYEHHN-UHFFFAOYSA-N
XLogP3.82
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone (CID 654525) is 1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1.
What is the InChIKey of 1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone?
The InChIKey is YVEUUHAFDYEHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-18-8-6-16(7-9-18)20-23-21(27-24-20)17-10-12-25(13-11-17)19(26)14-15-4-2-1-3-5-15/h1-9,17H,10-14H2.
What are the key properties of 1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone?
1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone has a molecular weight of 365.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 654525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).