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

C17H18F3N3O2 — CID 58002434

IUPAC3-cyclopropyl-5-[5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(C2CNCC(c3nc(C4CC4)no3)C2)cc1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)24-14-5-3-10(4-6-14)12-7-13(9-21-8-12)16-22-15(23-25-16)11-1-2-11/h3-6,11-13,21H,1-2,7-9H2
InChIKeyQQHMIKXJDOFWPX-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.71
Rot. Bonds4

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

3-cyclopropyl-5-[5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 58002434) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 3-cyclopropyl-5-[5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID58002434
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name3-cyclopropyl-5-[5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(C2CNCC(c3nc(C4CC4)no3)C2)cc1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)24-14-5-3-10(4-6-14)12-7-13(9-21-8-12)16-22-15(23-25-16)11-1-2-11/h3-6,11-13,21H,1-2,7-9H2
InChIKeyQQHMIKXJDOFWPX-UHFFFAOYSA-N
XLogP3.71
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]-1,2,4-oxadiazole (CID 58002434) is 3-cyclopropyl-5-[5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]-1,2,4-oxadiazole is FC(F)(F)Oc1ccc(C2CNCC(c3nc(C4CC4)no3)C2)cc1.
What is the InChIKey of 3-cyclopropyl-5-[5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is QQHMIKXJDOFWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c18-17(19,20)24-14-5-3-10(4-6-14)12-7-13(9-21-8-12)16-22-15(23-25-16)11-1-2-11/h3-6,11-13,21H,1-2,7-9H2.
What are the key properties of 3-cyclopropyl-5-[5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 353.34 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 58002434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).