5-(2,3-dihydro-1H-indol-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole

C11H8F3N3O — CID 113382399

IUPAC5-(2,3-dihydro-1H-indol-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1noc(-c2ccc3c(c2)NCC3)n1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)10-16-9(18-17-10)7-2-1-6-3-4-15-8(6)5-7/h1-2,5,15H,3-4H2
InChIKeyNQHNMDJBOSYGGW-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.72
Rot. Bonds1

About 5-(2,3-dihydro-1H-indol-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole

5-(2,3-dihydro-1H-indol-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 113382399) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID113382399
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name5-(2,3-dihydro-1H-indol-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1noc(-c2ccc3c(c2)NCC3)n1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)10-16-9(18-17-10)7-2-1-6-3-4-15-8(6)5-7/h1-2,5,15H,3-4H2
InChIKeyNQHNMDJBOSYGGW-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydro-1H-isoindol-5-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 103999564
3-cyclopropyl-5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole
CID 113382393
5-(2,3-dihydro-1H-indol-6-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790172
5-(2,3-dihydro-1H-indol-5-yl)-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole
CID 63891268
6-(4,6-dimethylpyrimidin-5-yl)-2,3-dihydro-1H-indole
CID 59435381
2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751251
5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 43325507
5-(2,3-dihydro-1H-indol-5-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
CID 43622149
5-(2,3-dihydro-1H-indol-5-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole
CID 106814581
2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82008572
5,7-dichloro-2-(2,3-dihydro-1H-indol-6-yl)-1,3-benzoxazole
CID 107676012
3-(3-bromophenyl)-5-(2,3-dihydro-1H-indol-5-yl)-1,2,4-oxadiazole
CID 43325515

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole (CID 113382399) is 5-(2,3-dihydro-1H-indol-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1noc(-c2ccc3c(c2)NCC3)n1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is NQHNMDJBOSYGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)10-16-9(18-17-10)7-2-1-6-3-4-15-8(6)5-7/h1-2,5,15H,3-4H2.
What are the key properties of 5-(2,3-dihydro-1H-indol-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 255.20 g/mol, XLogP of 2.72, 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-indol-6-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 113382399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).