3,3,3-trifluoro-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one

C14H14F3N3O2S — CID 52952614

IUPAC3,3,3-trifluoro-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C14H14F3N3O2S/c15-14(16,17)8-11(21)20-5-3-9(4-6-20)13-18-12(19-22-13)10-2-1-7-23-10/h1-2,7,9H,3-6,8H2
InChIKeyPURMOEJLBLWEGB-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.46
Rot. Bonds3

About 3,3,3-trifluoro-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one

3,3,3-trifluoro-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 52952614) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID52952614
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC Name3,3,3-trifluoro-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C14H14F3N3O2S/c15-14(16,17)8-11(21)20-5-3-9(4-6-20)13-18-12(19-22-13)10-2-1-7-23-10/h1-2,7,9H,3-6,8H2
InChIKeyPURMOEJLBLWEGB-UHFFFAOYSA-N
XLogP3.46
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (CID 52952614) is 3,3,3-trifluoro-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is O=C(CC(F)(F)F)N1CCC(c2nc(-c3cccs3)no2)CC1.
What is the InChIKey of 3,3,3-trifluoro-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is PURMOEJLBLWEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c15-14(16,17)8-11(21)20-5-3-9(4-6-20)13-18-12(19-22-13)10-2-1-7-23-10/h1-2,7,9H,3-6,8H2.
What are the key properties of 3,3,3-trifluoro-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 345.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 52952614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).