1-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-2-one

C19H22FN3O3 — CID 56700790

IUPAC1-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-2-one
SMILESO=C1CCCCN1CCc1nc(C2(c3ccc(F)cc3)CCOC2)no1
InChIInChI=1S/C19H22FN3O3/c20-15-6-4-14(5-7-15)19(9-12-25-13-19)18-21-16(26-22-18)8-11-23-10-2-1-3-17(23)24/h4-7H,1-3,8-13H2
InChIKeyQAMCVDDYYSIDQT-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.47
Rot. Bonds5

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

1-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-2-one (PubChem CID 56700790) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-2-one
PubChem CID56700790
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name1-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-2-one
SMILESO=C1CCCCN1CCc1nc(C2(c3ccc(F)cc3)CCOC2)no1
InChIInChI=1S/C19H22FN3O3/c20-15-6-4-14(5-7-15)19(9-12-25-13-19)18-21-16(26-22-18)8-11-23-10-2-1-3-17(23)24/h4-7H,1-3,8-13H2
InChIKeyQAMCVDDYYSIDQT-UHFFFAOYSA-N
XLogP2.47
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-2-one (CID 56700790) is 1-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-2-one is O=C1CCCCN1CCc1nc(C2(c3ccc(F)cc3)CCOC2)no1.
What is the InChIKey of 1-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-2-one?
The InChIKey is QAMCVDDYYSIDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c20-15-6-4-14(5-7-15)19(9-12-25-13-19)18-21-16(26-22-18)8-11-23-10-2-1-3-17(23)24/h4-7H,1-3,8-13H2.
What are the key properties of 1-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-2-one?
1-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-2-one has a molecular weight of 359.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-2-one is sourced from PubChem (CID 56700790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).