1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]ethanone

C17H14FN5O2 — CID 10449849

IUPAC1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]ethanone
SMILESCC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2cccc(F)c21
InChIInChI=1S/C17H14FN5O2/c1-9(24)22-7-13-14(16-20-17(25-21-16)10-5-6-10)19-8-23(13)12-4-2-3-11(18)15(12)22/h2-4,8,10H,5-7H2,1H3
InChIKeyFKDUEWLBZPPAHK-UHFFFAOYSA-N
MW339.33 g/mol
LogP2.81
Rot. Bonds2

About 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]ethanone

1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]ethanone (PubChem CID 10449849) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]ethanone
PubChem CID10449849
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC Name1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]ethanone
SMILESCC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2cccc(F)c21
InChIInChI=1S/C17H14FN5O2/c1-9(24)22-7-13-14(16-20-17(25-21-16)10-5-6-10)19-8-23(13)12-4-2-3-11(18)15(12)22/h2-4,8,10H,5-7H2,1H3
InChIKeyFKDUEWLBZPPAHK-UHFFFAOYSA-N
XLogP2.81
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]ethanone?
The IUPAC name of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]ethanone (CID 10449849) is 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]ethanone?
The canonical SMILES for 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]ethanone is CC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2cccc(F)c21.
What is the InChIKey of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]ethanone?
The InChIKey is FKDUEWLBZPPAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c1-9(24)22-7-13-14(16-20-17(25-21-16)10-5-6-10)19-8-23(13)12-4-2-3-11(18)15(12)22/h2-4,8,10H,5-7H2,1H3.
What are the key properties of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]ethanone?
1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]ethanone has a molecular weight of 339.33 g/mol, XLogP of 2.81, 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)-6-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]ethanone is sourced from PubChem (CID 10449849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).