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

C19H18FN3O2S — CID 52952086

IUPAC2-(4-fluorophenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C19H18FN3O2S/c20-15-5-3-13(4-6-15)12-17(24)23-9-7-14(8-10-23)19-21-18(22-25-19)16-2-1-11-26-16/h1-6,11,14H,7-10,12H2
InChIKeyYLCBOFDDWAFSLU-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.89
Rot. Bonds4

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

2-(4-fluorophenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 52952086) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
PubChem CID52952086
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name2-(4-fluorophenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C19H18FN3O2S/c20-15-5-3-13(4-6-15)12-17(24)23-9-7-14(8-10-23)19-21-18(22-25-19)16-2-1-11-26-16/h1-6,11,14H,7-10,12H2
InChIKeyYLCBOFDDWAFSLU-UHFFFAOYSA-N
XLogP3.89
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (CID 52952086) is 2-(4-fluorophenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCC(c2nc(-c3cccs3)no2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is YLCBOFDDWAFSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c20-15-5-3-13(4-6-15)12-17(24)23-9-7-14(8-10-23)19-21-18(22-25-19)16-2-1-11-26-16/h1-6,11,14H,7-10,12H2.
What are the key properties of 2-(4-fluorophenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 371.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 52952086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).