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

C19H18FN5O3 — CID 67886168

IUPAC6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)n1c(=O)c2c(-c3noc(C4CCCO4)n3)ncn2c2cccc(F)c21
InChIInChI=1S/C19H18FN5O3/c1-10(2)25-15-11(20)5-3-6-12(15)24-9-21-14(16(24)19(25)26)17-22-18(28-23-17)13-7-4-8-27-13/h3,5-6,9-10,13H,4,7-8H2,1-2H3
InChIKeyWEMFIMVGRTZMLC-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.27
Rot. Bonds3

About 6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (PubChem CID 67886168) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is 6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
PubChem CID67886168
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)n1c(=O)c2c(-c3noc(C4CCCO4)n3)ncn2c2cccc(F)c21
InChIInChI=1S/C19H18FN5O3/c1-10(2)25-15-11(20)5-3-6-12(15)24-9-21-14(16(24)19(25)26)17-22-18(28-23-17)13-7-4-8-27-13/h3,5-6,9-10,13H,4,7-8H2,1-2H3
InChIKeyWEMFIMVGRTZMLC-UHFFFAOYSA-N
XLogP3.27
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 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) is 6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is CC(C)n1c(=O)c2c(-c3noc(C4CCCO4)n3)ncn2c2cccc(F)c21.
What is the InChIKey of 6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The InChIKey is WEMFIMVGRTZMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3/c1-10(2)25-15-11(20)5-3-6-12(15)24-9-21-14(16(24)19(25)26)17-22-18(28-23-17)13-7-4-8-27-13/h3,5-6,9-10,13H,4,7-8H2,1-2H3.
What are the key properties of 6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one has a molecular weight of 383.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67886168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).