[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenylmethanone

C22H16FN5O2 — CID 14975957

IUPAC[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(F)cc21
InChIInChI=1S/C22H16FN5O2/c23-15-8-9-16-17(10-15)27(22(29)14-4-2-1-3-5-14)11-18-19(24-12-28(16)18)20-25-21(30-26-20)13-6-7-13/h1-5,8-10,12-13H,6-7,11H2
InChIKeyVGPSOOBLOHAMJR-UHFFFAOYSA-N
MW401.40 g/mol
LogP4.10
Rot. Bonds3

About [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenylmethanone

[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenylmethanone (PubChem CID 14975957) has the molecular formula C22H16FN5O2 and a molecular weight of 401.40 g/mol. Its IUPAC name is [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenylmethanone
PubChem CID14975957
Molecular FormulaC22H16FN5O2
Molecular Weight401.40 g/mol
Exact Mass401.13
IUPAC Name[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(F)cc21
InChIInChI=1S/C22H16FN5O2/c23-15-8-9-16-17(10-15)27(22(29)14-4-2-1-3-5-14)11-18-19(24-12-28(16)18)20-25-21(30-26-20)13-6-7-13/h1-5,8-10,12-13H,6-7,11H2
InChIKeyVGPSOOBLOHAMJR-UHFFFAOYSA-N
XLogP4.10
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenylmethanone?
The IUPAC name of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenylmethanone (CID 14975957) is [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenylmethanone.
What is the SMILES notation for [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenylmethanone?
The canonical SMILES for [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenylmethanone is O=C(c1ccccc1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(F)cc21.
What is the InChIKey of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenylmethanone?
The InChIKey is VGPSOOBLOHAMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O2/c23-15-8-9-16-17(10-15)27(22(29)14-4-2-1-3-5-14)11-18-19(24-12-28(16)18)20-25-21(30-26-20)13-6-7-13/h1-5,8-10,12-13H,6-7,11H2.
What are the key properties of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenylmethanone?
[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenylmethanone has a molecular weight of 401.40 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenylmethanone is sourced from PubChem (CID 14975957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).