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

C21H22FN3O3 — CID 90641217

IUPAC(2,5-dimethylfuran-3-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(Cc3nc(-c4ccccc4F)no3)C2)c(C)o1
InChIInChI=1S/C21H22FN3O3/c1-13-10-17(14(2)27-13)21(26)25-9-5-6-15(12-25)11-19-23-20(24-28-19)16-7-3-4-8-18(16)22/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3
InChIKeyQFUDXMJAVWZKRF-UHFFFAOYSA-N
MW383.42 g/mol
LogP4.18
Rot. Bonds4

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

(2,5-dimethylfuran-3-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone (PubChem CID 90641217) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
PubChem CID90641217
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name(2,5-dimethylfuran-3-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(Cc3nc(-c4ccccc4F)no3)C2)c(C)o1
InChIInChI=1S/C21H22FN3O3/c1-13-10-17(14(2)27-13)21(26)25-9-5-6-15(12-25)11-19-23-20(24-28-19)16-7-3-4-8-18(16)22/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3
InChIKeyQFUDXMJAVWZKRF-UHFFFAOYSA-N
XLogP4.18
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone (CID 90641217) is (2,5-dimethylfuran-3-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC(Cc3nc(-c4ccccc4F)no3)C2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is QFUDXMJAVWZKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-13-10-17(14(2)27-13)21(26)25-9-5-6-15(12-25)11-19-23-20(24-28-19)16-7-3-4-8-18(16)22/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 383.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90641217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).