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

C13H11F3N2O — CID 2781838

IUPAC5-cyclobutyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2noc(C3CCC3)n2)cc1
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)10-6-4-8(5-7-10)11-17-12(19-18-11)9-2-1-3-9/h4-7,9H,1-3H2
InChIKeyFQWQTVMFFBOMAG-UHFFFAOYSA-N
MW268.24 g/mol
LogP4.02
Rot. Bonds2

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

5-cyclobutyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 2781838) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 5-cyclobutyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclobutyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID2781838
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name5-cyclobutyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2noc(C3CCC3)n2)cc1
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)10-6-4-8(5-7-10)11-17-12(19-18-11)9-2-1-3-9/h4-7,9H,1-3H2
InChIKeyFQWQTVMFFBOMAG-UHFFFAOYSA-N
XLogP4.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 61339415
[(3R)-3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93100919
4,4,4-trifluoro-1-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 56946259
5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 45498638
5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 42585119
[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 53064640
3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole
CID 165487010
5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 46096587
5-[(2R)-3,4-dihydro-2H-chromen-2-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 6923449
5-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2778960
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4183406
3-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
CID 167997248

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclobutyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 2781838) is 5-cyclobutyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclobutyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclobutyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1ccc(-c2noc(C3CCC3)n2)cc1.
What is the InChIKey of 5-cyclobutyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is FQWQTVMFFBOMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c14-13(15,16)10-6-4-8(5-7-10)11-17-12(19-18-11)9-2-1-3-9/h4-7,9H,1-3H2.
What are the key properties of 5-cyclobutyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-cyclobutyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 268.24 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2781838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).