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

C14H14F3N3O — CID 43100011

IUPAC5-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2noc(C3CCCNC3)n2)c1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)11-5-1-3-9(7-11)12-19-13(21-20-12)10-4-2-6-18-8-10/h1,3,5,7,10,18H,2,4,6,8H2
InChIKeyOENHXCHJUHEPDN-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.22
Rot. Bonds2

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

5-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 43100011) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 5-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID43100011
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name5-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2noc(C3CCCNC3)n2)c1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)11-5-1-3-9(7-11)12-19-13(21-20-12)10-4-2-6-18-8-10/h1,3,5,7,10,18H,2,4,6,8H2
InChIKeyOENHXCHJUHEPDN-UHFFFAOYSA-N
XLogP3.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 43100011) is 5-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1cccc(-c2noc(C3CCCNC3)n2)c1.
What is the InChIKey of 5-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is OENHXCHJUHEPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)11-5-1-3-9(7-11)12-19-13(21-20-12)10-4-2-6-18-8-10/h1,3,5,7,10,18H,2,4,6,8H2.
What are the key properties of 5-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 297.28 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 43100011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).