[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-(2-fluorophenyl)methanone

C23H20FN5O2 — CID 23371689

IUPAC[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-(2-fluorophenyl)methanone
SMILESCC(C)(C)c1nc(-c2ncn3c2CN(C(=O)c2ccccc2F)c2ccccc2-3)no1
InChIInChI=1S/C23H20FN5O2/c1-23(2,3)22-26-20(27-31-22)19-18-12-28(21(30)14-8-4-5-9-15(14)24)16-10-6-7-11-17(16)29(18)13-25-19/h4-11,13H,12H2,1-3H3
InChIKeyXRIWRFJVHDBTFF-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.52
Rot. Bonds2

About [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-(2-fluorophenyl)methanone

[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-(2-fluorophenyl)methanone (PubChem CID 23371689) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-(2-fluorophenyl)methanone
PubChem CID23371689
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-(2-fluorophenyl)methanone
SMILESCC(C)(C)c1nc(-c2ncn3c2CN(C(=O)c2ccccc2F)c2ccccc2-3)no1
InChIInChI=1S/C23H20FN5O2/c1-23(2,3)22-26-20(27-31-22)19-18-12-28(21(30)14-8-4-5-9-15(14)24)16-10-6-7-11-17(16)29(18)13-25-19/h4-11,13H,12H2,1-3H3
InChIKeyXRIWRFJVHDBTFF-UHFFFAOYSA-N
XLogP4.52
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-(2-fluorophenyl)methanone (CID 23371689) is [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-(2-fluorophenyl)methanone is CC(C)(C)c1nc(-c2ncn3c2CN(C(=O)c2ccccc2F)c2ccccc2-3)no1.
What is the InChIKey of [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-(2-fluorophenyl)methanone?
The InChIKey is XRIWRFJVHDBTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-23(2,3)22-26-20(27-31-22)19-18-12-28(21(30)14-8-4-5-9-15(14)24)16-10-6-7-11-17(16)29(18)13-25-19/h4-11,13H,12H2,1-3H3.
What are the key properties of [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-(2-fluorophenyl)methanone?
[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-(2-fluorophenyl)methanone has a molecular weight of 417.44 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 23371689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).