1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-2,2,2-trifluoroethanone

C17H12F3N5O2 — CID 11793852

IUPAC1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21)C(F)(F)F
InChIInChI=1S/C17H12F3N5O2/c18-17(19,20)16(26)24-7-12-13(14-22-15(27-23-14)9-5-6-9)21-8-25(12)11-4-2-1-3-10(11)24/h1-4,8-9H,5-7H2
InChIKeyHASWZFFTZZAHTK-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.21
Rot. Bonds2

About 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-2,2,2-trifluoroethanone

1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-2,2,2-trifluoroethanone (PubChem CID 11793852) has the molecular formula C17H12F3N5O2 and a molecular weight of 375.31 g/mol. Its IUPAC name is 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-2,2,2-trifluoroethanone
PubChem CID11793852
Molecular FormulaC17H12F3N5O2
Molecular Weight375.31 g/mol
Exact Mass375.09
IUPAC Name1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21)C(F)(F)F
InChIInChI=1S/C17H12F3N5O2/c18-17(19,20)16(26)24-7-12-13(14-22-15(27-23-14)9-5-6-9)21-8-25(12)11-4-2-1-3-10(11)24/h1-4,8-9H,5-7H2
InChIKeyHASWZFFTZZAHTK-UHFFFAOYSA-N
XLogP3.21
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-2,2,2-trifluoroethanone 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 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-2,2,2-trifluoroethanone (CID 11793852) is 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-2,2,2-trifluoroethanone is O=C(N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21)C(F)(F)F.
What is the InChIKey of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-2,2,2-trifluoroethanone?
The InChIKey is HASWZFFTZZAHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O2/c18-17(19,20)16(26)24-7-12-13(14-22-15(27-23-14)9-5-6-9)21-8-25(12)11-4-2-1-3-10(11)24/h1-4,8-9H,5-7H2.
What are the key properties of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-2,2,2-trifluoroethanone?
1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-2,2,2-trifluoroethanone has a molecular weight of 375.31 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 11793852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).