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

C18H16FN3O3 — CID 648195

IUPAC[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C18H16FN3O3/c19-14-5-3-12(4-6-14)16-20-17(25-21-16)13-7-9-22(10-8-13)18(23)15-2-1-11-24-15/h1-6,11,13H,7-10H2
InChIKeyZMYNBTMSQRSILZ-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.49
Rot. Bonds3

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

[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 648195) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID648195
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C18H16FN3O3/c19-14-5-3-12(4-6-14)16-20-17(25-21-16)13-7-9-22(10-8-13)18(23)15-2-1-11-24-15/h1-6,11,13H,7-10H2
InChIKeyZMYNBTMSQRSILZ-UHFFFAOYSA-N
XLogP3.49
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone (CID 648195) is [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1.
What is the InChIKey of [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is ZMYNBTMSQRSILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c19-14-5-3-12(4-6-14)16-20-17(25-21-16)13-7-9-22(10-8-13)18(23)15-2-1-11-24-15/h1-6,11,13H,7-10H2.
What are the key properties of [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone?
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 341.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 648195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).