[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C16H13F6N3O2 — CID 90539876

IUPAC[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C16H13F6N3O2/c17-15(18,19)11-4-2-1-3-10(11)13(26)25-7-5-9(6-8-25)12-23-24-14(27-12)16(20,21)22/h1-4,9H,5-8H2
InChIKeyGEQJYQDFXQCJJI-UHFFFAOYSA-N
MW393.29 g/mol
LogP4.13
Rot. Bonds2

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

[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 90539876) has the molecular formula C16H13F6N3O2 and a molecular weight of 393.29 g/mol. Its IUPAC name is [4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID90539876
Molecular FormulaC16H13F6N3O2
Molecular Weight393.29 g/mol
Exact Mass393.09
IUPAC Name[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C16H13F6N3O2/c17-15(18,19)11-4-2-1-3-10(11)13(26)25-7-5-9(6-8-25)12-23-24-14(27-12)16(20,21)22/h1-4,9H,5-8H2
InChIKeyGEQJYQDFXQCJJI-UHFFFAOYSA-N
XLogP4.13
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 90539876) is [4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of [4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is GEQJYQDFXQCJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6N3O2/c17-15(18,19)11-4-2-1-3-10(11)13(26)25-7-5-9(6-8-25)12-23-24-14(27-12)16(20,21)22/h1-4,9H,5-8H2.
What are the key properties of [4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 393.29 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 90539876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).