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

C19H18FN3O2S — CID 97426984

IUPAC2-(4-fluorophenyl)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1
InChIInChI=1S/C19H18FN3O2S/c20-16-5-3-13(4-6-16)10-17(24)23-8-1-2-14(11-23)18-21-22-19(25-18)15-7-9-26-12-15/h3-7,9,12,14H,1-2,8,10-11H2/t14-/m0/s1
InChIKeyJQWTZYJLEMUXGR-AWEZNQCLSA-N
MW371.44 g/mol
LogP3.89
Rot. Bonds4

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

2-(4-fluorophenyl)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 97426984) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID97426984
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name2-(4-fluorophenyl)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1
InChIInChI=1S/C19H18FN3O2S/c20-16-5-3-13(4-6-16)10-17(24)23-8-1-2-14(11-23)18-21-22-19(25-18)15-7-9-26-12-15/h3-7,9,12,14H,1-2,8,10-11H2/t14-/m0/s1
InChIKeyJQWTZYJLEMUXGR-AWEZNQCLSA-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-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (CID 97426984) is 2-(4-fluorophenyl)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is JQWTZYJLEMUXGR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c20-16-5-3-13(4-6-16)10-17(24)23-8-1-2-14(11-23)18-21-22-19(25-18)15-7-9-26-12-15/h3-7,9,12,14H,1-2,8,10-11H2/t14-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-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-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 97426984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).