2,2,2-trifluoro-1-[5-(1,2,4-oxadiazol-5-yl)-1-propan-2-ylindol-3-yl]ethanone

C15H12F3N3O2 — CID 141410899

IUPAC2,2,2-trifluoro-1-[5-(1,2,4-oxadiazol-5-yl)-1-propan-2-ylindol-3-yl]ethanone
SMILESCC(C)n1cc(C(=O)C(F)(F)F)c2cc(-c3ncno3)ccc21
InChIInChI=1S/C15H12F3N3O2/c1-8(2)21-6-11(13(22)15(16,17)18)10-5-9(3-4-12(10)21)14-19-7-20-23-14/h3-8H,1-2H3
InChIKeyWYABDTCVSOEZNU-UHFFFAOYSA-N
MW323.27 g/mol
LogP4.02
Rot. Bonds3

About 2,2,2-trifluoro-1-[5-(1,2,4-oxadiazol-5-yl)-1-propan-2-ylindol-3-yl]ethanone

2,2,2-trifluoro-1-[5-(1,2,4-oxadiazol-5-yl)-1-propan-2-ylindol-3-yl]ethanone (PubChem CID 141410899) has the molecular formula C15H12F3N3O2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-(1,2,4-oxadiazol-5-yl)-1-propan-2-ylindol-3-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-(1,2,4-oxadiazol-5-yl)-1-propan-2-ylindol-3-yl]ethanone
PubChem CID141410899
Molecular FormulaC15H12F3N3O2
Molecular Weight323.27 g/mol
Exact Mass323.09
IUPAC Name2,2,2-trifluoro-1-[5-(1,2,4-oxadiazol-5-yl)-1-propan-2-ylindol-3-yl]ethanone
SMILESCC(C)n1cc(C(=O)C(F)(F)F)c2cc(-c3ncno3)ccc21
InChIInChI=1S/C15H12F3N3O2/c1-8(2)21-6-11(13(22)15(16,17)18)10-5-9(3-4-12(10)21)14-19-7-20-23-14/h3-8H,1-2H3
InChIKeyWYABDTCVSOEZNU-UHFFFAOYSA-N
XLogP4.02
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,2,2-trifluoro-1-[5-(1,2,4-oxadiazol-5-yl)-1-propan-2-ylindol-3-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-(1,2,4-oxadiazol-5-yl)-1-propan-2-ylindol-3-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[5-(1,2,4-oxadiazol-5-yl)-1-propan-2-ylindol-3-yl]ethanone (CID 141410899) is 2,2,2-trifluoro-1-[5-(1,2,4-oxadiazol-5-yl)-1-propan-2-ylindol-3-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-(1,2,4-oxadiazol-5-yl)-1-propan-2-ylindol-3-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[5-(1,2,4-oxadiazol-5-yl)-1-propan-2-ylindol-3-yl]ethanone is CC(C)n1cc(C(=O)C(F)(F)F)c2cc(-c3ncno3)ccc21.
What is the InChIKey of 2,2,2-trifluoro-1-[5-(1,2,4-oxadiazol-5-yl)-1-propan-2-ylindol-3-yl]ethanone?
The InChIKey is WYABDTCVSOEZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2/c1-8(2)21-6-11(13(22)15(16,17)18)10-5-9(3-4-12(10)21)14-19-7-20-23-14/h3-8H,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-[5-(1,2,4-oxadiazol-5-yl)-1-propan-2-ylindol-3-yl]ethanone?
2,2,2-trifluoro-1-[5-(1,2,4-oxadiazol-5-yl)-1-propan-2-ylindol-3-yl]ethanone has a molecular weight of 323.27 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[5-(1,2,4-oxadiazol-5-yl)-1-propan-2-ylindol-3-yl]ethanone is sourced from PubChem (CID 141410899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).