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

C18H16FN3O2S — CID 3226279

IUPAC(4-fluorophenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(c2nc(-c3cccs3)no2)C1
InChIInChI=1S/C18H16FN3O2S/c19-14-7-5-12(6-8-14)18(23)22-9-1-3-13(11-22)17-20-16(21-24-17)15-4-2-10-25-15/h2,4-8,10,13H,1,3,9,11H2
InChIKeyBDWLILFPLXVQLM-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.96
Rot. Bonds3

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

(4-fluorophenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 3226279) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID3226279
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name(4-fluorophenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(c2nc(-c3cccs3)no2)C1
InChIInChI=1S/C18H16FN3O2S/c19-14-7-5-12(6-8-14)18(23)22-9-1-3-13(11-22)17-20-16(21-24-17)15-4-2-10-25-15/h2,4-8,10,13H,1,3,9,11H2
InChIKeyBDWLILFPLXVQLM-UHFFFAOYSA-N
XLogP3.96
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 3226279) is (4-fluorophenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCCC(c2nc(-c3cccs3)no2)C1.
What is the InChIKey of (4-fluorophenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is BDWLILFPLXVQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c19-14-7-5-12(6-8-14)18(23)22-9-1-3-13(11-22)17-20-16(21-24-17)15-4-2-10-25-15/h2,4-8,10,13H,1,3,9,11H2.
What are the key properties of (4-fluorophenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(4-fluorophenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 357.41 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 3226279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).