5-[1-(azetidin-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

C9H12F3N3O — CID 116682481

IUPAC5-[1-(azetidin-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESCC(c1nc(CC(F)(F)F)no1)C1CNC1
InChIInChI=1S/C9H12F3N3O/c1-5(6-3-13-4-6)8-14-7(15-16-8)2-9(10,11)12/h5-6,13H,2-4H2,1H3
InChIKeyARSJKZQUEWLYMJ-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.50
Rot. Bonds3

About 5-[1-(azetidin-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

5-[1-(azetidin-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (PubChem CID 116682481) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 5-[1-(azetidin-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(azetidin-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
PubChem CID116682481
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name5-[1-(azetidin-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESCC(c1nc(CC(F)(F)F)no1)C1CNC1
InChIInChI=1S/C9H12F3N3O/c1-5(6-3-13-4-6)8-14-7(15-16-8)2-9(10,11)12/h5-6,13H,2-4H2,1H3
InChIKeyARSJKZQUEWLYMJ-UHFFFAOYSA-N
XLogP1.50
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(azetidin-3-yl)ethyl]-3-(2-ethoxyethyl)-1,2,4-oxadiazole
CID 106814662
5-[1-(azetidin-3-yl)ethyl]-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 116682577
5-[1-(azetidin-3-yl)ethyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
CID 116682489
5-(azetidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 79316238
(1S)-2,2-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104899376
5-[1-(azetidin-3-yl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
CID 116682512
(1S)-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565256
2-methoxy-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 81084381
5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole
CID 116701872
N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63559540
5-[1-(azetidin-3-yl)ethyl]-3-cyclooctyl-1,2,4-oxadiazole
CID 116682608
2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 79954560

Frequently Asked Questions

What is the IUPAC name of 5-[1-(azetidin-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(azetidin-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (CID 116682481) is 5-[1-(azetidin-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(azetidin-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(azetidin-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is CC(c1nc(CC(F)(F)F)no1)C1CNC1.
What is the InChIKey of 5-[1-(azetidin-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The InChIKey is ARSJKZQUEWLYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-5(6-3-13-4-6)8-14-7(15-16-8)2-9(10,11)12/h5-6,13H,2-4H2,1H3.
What are the key properties of 5-[1-(azetidin-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
5-[1-(azetidin-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole has a molecular weight of 235.21 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(azetidin-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 116682481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).