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

C13H11F3N2O2 — CID 123309182

IUPAC5-cyclopropyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1cccc(Cc2noc(C3CC3)n2)c1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)19-10-3-1-2-8(6-10)7-11-17-12(20-18-11)9-4-5-9/h1-3,6,9H,4-5,7H2
InChIKeyZIELJFWISGKUNG-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.44
Rot. Bonds4

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

5-cyclopropyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole (PubChem CID 123309182) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole
PubChem CID123309182
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name5-cyclopropyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1cccc(Cc2noc(C3CC3)n2)c1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)19-10-3-1-2-8(6-10)7-11-17-12(20-18-11)9-4-5-9/h1-3,6,9H,4-5,7H2
InChIKeyZIELJFWISGKUNG-UHFFFAOYSA-N
XLogP3.44
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole (CID 123309182) is 5-cyclopropyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole is FC(F)(F)Oc1cccc(Cc2noc(C3CC3)n2)c1.
What is the InChIKey of 5-cyclopropyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole?
The InChIKey is ZIELJFWISGKUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c14-13(15,16)19-10-3-1-2-8(6-10)7-11-17-12(20-18-11)9-4-5-9/h1-3,6,9H,4-5,7H2.
What are the key properties of 5-cyclopropyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole has a molecular weight of 284.24 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 123309182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).