7-fluoro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

C21H15F2N5O2 — CID 67887189

IUPAC7-fluoro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)n1c(=O)c2c(-c3noc(-c4ccc(F)cc4)n3)ncn2c2ccc(F)cc21
InChIInChI=1S/C21H15F2N5O2/c1-11(2)28-16-9-14(23)7-8-15(16)27-10-24-17(18(27)21(28)29)19-25-20(30-26-19)12-3-5-13(22)6-4-12/h3-11H,1-2H3
InChIKeyJIYSAFDXFQSASY-UHFFFAOYSA-N
MW407.38 g/mol
LogP4.23
Rot. Bonds3

About 7-fluoro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

7-fluoro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (PubChem CID 67887189) has the molecular formula C21H15F2N5O2 and a molecular weight of 407.38 g/mol. Its IUPAC name is 7-fluoro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
PubChem CID67887189
Molecular FormulaC21H15F2N5O2
Molecular Weight407.38 g/mol
Exact Mass407.12
IUPAC Name7-fluoro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)n1c(=O)c2c(-c3noc(-c4ccc(F)cc4)n3)ncn2c2ccc(F)cc21
InChIInChI=1S/C21H15F2N5O2/c1-11(2)28-16-9-14(23)7-8-15(16)27-10-24-17(18(27)21(28)29)19-25-20(30-26-19)12-3-5-13(22)6-4-12/h3-11H,1-2H3
InChIKeyJIYSAFDXFQSASY-UHFFFAOYSA-N
XLogP4.23
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-chloro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one
CID 56607947
7-chloro-3-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67889458
5-butan-2-yl-3-[5-(5,5-dimethyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-7-fluoroimidazo[1,5-a]quinoxalin-4-one
CID 67889460
6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67886168
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886024
3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67887540
6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyridazin-3-one
CID 83274107
7-fluoro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67889655
7-fluoro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
CID 56614313
7-fluoro-5-(2-methoxyethyl)-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67887832
7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67889296
5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 67886994

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-fluoro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (CID 67887189) is 7-fluoro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-fluoro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-fluoro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is CC(C)n1c(=O)c2c(-c3noc(-c4ccc(F)cc4)n3)ncn2c2ccc(F)cc21.
What is the InChIKey of 7-fluoro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The InChIKey is JIYSAFDXFQSASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5O2/c1-11(2)28-16-9-14(23)7-8-15(16)27-10-24-17(18(27)21(28)29)19-25-20(30-26-19)12-3-5-13(22)6-4-12/h3-11H,1-2H3.
What are the key properties of 7-fluoro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
7-fluoro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one has a molecular weight of 407.38 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67887189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).