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

C13H12F3N3O — CID 80565117

IUPAC5-(2,3-dihydro-1H-indol-3-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
SMILESFC(F)(F)CCc1noc(C2CNc3ccccc32)n1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)6-5-11-18-12(20-19-11)9-7-17-10-4-2-1-3-8(9)10/h1-4,9,17H,5-7H2
InChIKeyDUNQYGHIWPHJRM-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.12
Rot. Bonds3

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

5-(2,3-dihydro-1H-indol-3-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole (PubChem CID 80565117) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-3-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-3-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
PubChem CID80565117
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name5-(2,3-dihydro-1H-indol-3-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
SMILESFC(F)(F)CCc1noc(C2CNc3ccccc32)n1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)6-5-11-18-12(20-19-11)9-7-17-10-4-2-1-3-8(9)10/h1-4,9,17H,5-7H2
InChIKeyDUNQYGHIWPHJRM-UHFFFAOYSA-N
XLogP3.12
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-3-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-3-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole (CID 80565117) is 5-(2,3-dihydro-1H-indol-3-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-3-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-3-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole is FC(F)(F)CCc1noc(C2CNc3ccccc32)n1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-3-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The InChIKey is DUNQYGHIWPHJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)6-5-11-18-12(20-19-11)9-7-17-10-4-2-1-3-8(9)10/h1-4,9,17H,5-7H2.
What are the key properties of 5-(2,3-dihydro-1H-indol-3-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-3-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole has a molecular weight of 283.25 g/mol, XLogP of 3.12, 3 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-3-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 80565117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).