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

C19H19N3O2S — CID 652744

IUPAC2-phenyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCCC(c2nc(-c3cccs3)no2)C1
InChIInChI=1S/C19H19N3O2S/c23-17(12-14-6-2-1-3-7-14)22-10-4-8-15(13-22)19-20-18(21-24-19)16-9-5-11-25-16/h1-3,5-7,9,11,15H,4,8,10,12-13H2
InChIKeyJQCWEJMWHPBCSF-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.75
Rot. Bonds4

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

2-phenyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 652744) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-phenyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
PubChem CID652744
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-phenyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCCC(c2nc(-c3cccs3)no2)C1
InChIInChI=1S/C19H19N3O2S/c23-17(12-14-6-2-1-3-7-14)22-10-4-8-15(13-22)19-20-18(21-24-19)16-9-5-11-25-16/h1-3,5-7,9,11,15H,4,8,10,12-13H2
InChIKeyJQCWEJMWHPBCSF-UHFFFAOYSA-N
XLogP3.75
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (CID 652744) is 2-phenyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCCC(c2nc(-c3cccs3)no2)C1.
What is the InChIKey of 2-phenyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is JQCWEJMWHPBCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-17(12-14-6-2-1-3-7-14)22-10-4-8-15(13-22)19-20-18(21-24-19)16-9-5-11-25-16/h1-3,5-7,9,11,15H,4,8,10,12-13H2.
What are the key properties of 2-phenyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
2-phenyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 353.45 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 652744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).