5-(2,3-dihydro-1H-isoindol-5-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole

C11H8F3N3O — CID 103999564

IUPAC5-(2,3-dihydro-1H-isoindol-5-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1noc(-c2ccc3c(c2)CNC3)n1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)10-16-9(18-17-10)6-1-2-7-4-15-5-8(7)3-6/h1-3,15H,4-5H2
InChIKeyIGVRLTCLPKCNBY-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.36
Rot. Bonds1

About 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole

5-(2,3-dihydro-1H-isoindol-5-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 103999564) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-isoindol-5-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID103999564
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name5-(2,3-dihydro-1H-isoindol-5-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1noc(-c2ccc3c(c2)CNC3)n1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)10-16-9(18-17-10)6-1-2-7-4-15-5-8(7)3-6/h1-3,15H,4-5H2
InChIKeyIGVRLTCLPKCNBY-UHFFFAOYSA-N
XLogP2.36
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydro-1H-indol-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 113382399
5-(2,3-dihydro-1H-isoindol-5-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 116806663
3-cyclohexyl-5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole
CID 103999480
2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751251
5-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazole
CID 102993845
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
CID 103999555
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 103999501
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 103999553
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 103999470
2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82008572
2-[4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 82007703
[3-(2,3-dihydro-1H-isoindol-5-yl)-1,2,4-oxadiazol-5-yl] 2,2,2-trifluoroacetate
CID 167524989

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole (CID 103999564) is 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1noc(-c2ccc3c(c2)CNC3)n1.
What is the InChIKey of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is IGVRLTCLPKCNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)10-16-9(18-17-10)6-1-2-7-4-15-5-8(7)3-6/h1-3,15H,4-5H2.
What are the key properties of 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 255.20 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-isoindol-5-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 103999564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).