2-(4-fluorophenyl)-5-piperidin-4-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid

C15H15F4N3O3 — CID 90043662

IUPAC2-(4-fluorophenyl)-5-piperidin-4-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
SMILESFc1ccc(-c2nnc(C3CCNCC3)o2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H14FN3O.C2HF3O2/c14-11-3-1-9(2-4-11)12-16-17-13(18-12)10-5-7-15-8-6-10;3-2(4,5)1(6)7/h1-4,10,15H,5-8H2;(H,6,7)
InChIKeyOYXOTJXZSSRXNG-UHFFFAOYSA-N
MW361.30 g/mol
LogP2.98
Rot. Bonds2

About 2-(4-fluorophenyl)-5-piperidin-4-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid

2-(4-fluorophenyl)-5-piperidin-4-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid (PubChem CID 90043662) has the molecular formula C15H15F4N3O3 and a molecular weight of 361.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-piperidin-4-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-piperidin-4-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
PubChem CID90043662
Molecular FormulaC15H15F4N3O3
Molecular Weight361.30 g/mol
Exact Mass361.10
IUPAC Name2-(4-fluorophenyl)-5-piperidin-4-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
SMILESFc1ccc(-c2nnc(C3CCNCC3)o2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H14FN3O.C2HF3O2/c14-11-3-1-9(2-4-11)12-16-17-13(18-12)10-5-7-15-8-6-10;3-2(4,5)1(6)7/h1-4,10,15H,5-8H2;(H,6,7)
InChIKeyOYXOTJXZSSRXNG-UHFFFAOYSA-N
XLogP2.98
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-piperidin-4-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(4-fluorophenyl)-5-piperidin-4-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid (CID 90043662) is 2-(4-fluorophenyl)-5-piperidin-4-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-5-piperidin-4-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(4-fluorophenyl)-5-piperidin-4-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid is Fc1ccc(-c2nnc(C3CCNCC3)o2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(4-fluorophenyl)-5-piperidin-4-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid?
The InChIKey is OYXOTJXZSSRXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O.C2HF3O2/c14-11-3-1-9(2-4-11)12-16-17-13(18-12)10-5-7-15-8-6-10;3-2(4,5)1(6)7/h1-4,10,15H,5-8H2;(H,6,7).
What are the key properties of 2-(4-fluorophenyl)-5-piperidin-4-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid?
2-(4-fluorophenyl)-5-piperidin-4-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid has a molecular weight of 361.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-piperidin-4-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 90043662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).