2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine

C12H9F3N4O — CID 167524955

IUPAC2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine
SMILESNc1cccc2c1cc(-c1ncon1)n2CC(F)(F)F
InChIInChI=1S/C12H9F3N4O/c13-12(14,15)5-19-9-3-1-2-8(16)7(9)4-10(19)11-17-6-20-18-11/h1-4,6H,5,16H2
InChIKeyXBVLDACQJVJJDN-UHFFFAOYSA-N
MW282.22 g/mol
LogP2.84
Rot. Bonds2

About 2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine

2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine (PubChem CID 167524955) has the molecular formula C12H9F3N4O and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine
PubChem CID167524955
Molecular FormulaC12H9F3N4O
Molecular Weight282.22 g/mol
Exact Mass282.07
IUPAC Name2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine
SMILESNc1cccc2c1cc(-c1ncon1)n2CC(F)(F)F
InChIInChI=1S/C12H9F3N4O/c13-12(14,15)5-19-9-3-1-2-8(16)7(9)4-10(19)11-17-6-20-18-11/h1-4,6H,5,16H2
InChIKeyXBVLDACQJVJJDN-UHFFFAOYSA-N
XLogP2.84
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine 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

[3-(1-Methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 14810832
2-[3-(1-Methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 14810844
3-[(3-Phenylindazol-1-yl)methyl]-1,2,4-oxadiazole
CID 73504346
Indolyl 1,2,4-oxadiazole
CID 135841304
2-indol-1-yl-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 124761118
1-Methyl-3-[5-aminomethyl-1,2,4-oxadiazol-3-yl]indole hydrogen triflouroacetate
CID 14810833
3-(4-fluoro-1H-indol-7-yl)-1,2,4-oxadiazole
CID 59069153
[4-[3,5-Difluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methanamine
CID 67517257
N-[(1-methylindol-3-yl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
CID 71550951
3-[[5-amino-2-propyl-4-(trifluoromethyl)indol-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine
CID 89282283
N-[2-(1-methylindol-3-yl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
CID 89555773
4-[(1-Methylindol-3-yl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
CID 123563654

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine?
The IUPAC name of 2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine (CID 167524955) is 2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine.
What is the SMILES notation for 2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine?
The canonical SMILES for 2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine is Nc1cccc2c1cc(-c1ncon1)n2CC(F)(F)F.
What is the InChIKey of 2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine?
The InChIKey is XBVLDACQJVJJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O/c13-12(14,15)5-19-9-3-1-2-8(16)7(9)4-10(19)11-17-6-20-18-11/h1-4,6H,5,16H2.
What are the key properties of 2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine?
2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine has a molecular weight of 282.22 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine is sourced from PubChem (CID 167524955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).