5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

C12H16F3N3O — CID 61392856

IUPAC5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)Cc1noc(C2CC3CCCCC3N2)n1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)6-10-17-11(19-18-10)9-5-7-3-1-2-4-8(7)16-9/h7-9,16H,1-6H2
InChIKeyDTOGQIJEOCEKQG-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.77
Rot. Bonds2

About 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (PubChem CID 61392856) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
PubChem CID61392856
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)Cc1noc(C2CC3CCCCC3N2)n1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)6-10-17-11(19-18-10)9-5-7-3-1-2-4-8(7)16-9/h7-9,16H,1-6H2
InChIKeyDTOGQIJEOCEKQG-UHFFFAOYSA-N
XLogP2.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-butyl-1,2,4-oxadiazole
CID 79404883
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-(propylsulfanylmethyl)-1,2,4-oxadiazole
CID 65129615
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120893605
5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 66470286
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 116806784
5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 82008289
2-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylethanamine
CID 115345462
4-[5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 116807491
5-(azetidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 79316238
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790965
5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole
CID 103985711
5-thiomorpholin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 82905084

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (CID 61392856) is 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is FC(F)(F)Cc1noc(C2CC3CCCCC3N2)n1.
What is the InChIKey of 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The InChIKey is DTOGQIJEOCEKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)6-10-17-11(19-18-10)9-5-7-3-1-2-4-8(7)16-9/h7-9,16H,1-6H2.
What are the key properties of 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole has a molecular weight of 275.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 61392856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).