3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-6-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one

C17H12F3N5O2 — CID 19980342

IUPAC3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-6-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCn1c(=O)c2c(-c3nc(C4CC4)no3)ncn2c2cccc(C(F)(F)F)c21
InChIInChI=1S/C17H12F3N5O2/c1-24-12-9(17(18,19)20)3-2-4-10(12)25-7-21-11(13(25)16(24)26)15-22-14(23-27-15)8-5-6-8/h2-4,7-8H,5-6H2,1H3
InChIKeyLOWOEMAYPORZAO-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.13
Rot. Bonds2

About 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-6-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-6-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 19980342) has the molecular formula C17H12F3N5O2 and a molecular weight of 375.31 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-6-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-6-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID19980342
Molecular FormulaC17H12F3N5O2
Molecular Weight375.31 g/mol
Exact Mass375.09
IUPAC Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-6-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCn1c(=O)c2c(-c3nc(C4CC4)no3)ncn2c2cccc(C(F)(F)F)c21
InChIInChI=1S/C17H12F3N5O2/c1-24-12-9(17(18,19)20)3-2-4-10(12)25-7-21-11(13(25)16(24)26)15-22-14(23-27-15)8-5-6-8/h2-4,7-8H,5-6H2,1H3
InChIKeyLOWOEMAYPORZAO-UHFFFAOYSA-N
XLogP3.13
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-6-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one 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 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-6-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-6-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one (CID 19980342) is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-6-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-6-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-6-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one is Cn1c(=O)c2c(-c3nc(C4CC4)no3)ncn2c2cccc(C(F)(F)F)c21.
What is the InChIKey of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-6-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is LOWOEMAYPORZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O2/c1-24-12-9(17(18,19)20)3-2-4-10(12)25-7-21-11(13(25)16(24)26)15-22-14(23-27-15)8-5-6-8/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-6-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one?
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-6-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 375.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-6-(trifluoromethyl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 19980342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).