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

C22H24FN5O3 — CID 67889460

IUPAC5-butan-2-yl-3-[5-(5,5-dimethyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-7-fluoroimidazo[1,5-a]quinoxalin-4-one
SMILESCCC(C)n1c(=O)c2c(-c3noc(C4CCC(C)(C)O4)n3)ncn2c2ccc(F)cc21
InChIInChI=1S/C22H24FN5O3/c1-5-12(2)28-15-10-13(23)6-7-14(15)27-11-24-17(18(27)21(28)29)19-25-20(31-26-19)16-8-9-22(3,4)30-16/h6-7,10-12,16H,5,8-9H2,1-4H3
InChIKeyBORZHRXGLRHKCQ-UHFFFAOYSA-N
MW425.46 g/mol
LogP4.44
Rot. Bonds4

About 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

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 (PubChem CID 67889460) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-butan-2-yl-3-[5-(5,5-dimethyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-7-fluoroimidazo[1,5-a]quinoxalin-4-one
PubChem CID67889460
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name5-butan-2-yl-3-[5-(5,5-dimethyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-7-fluoroimidazo[1,5-a]quinoxalin-4-one
SMILESCCC(C)n1c(=O)c2c(-c3noc(C4CCC(C)(C)O4)n3)ncn2c2ccc(F)cc21
InChIInChI=1S/C22H24FN5O3/c1-5-12(2)28-15-10-13(23)6-7-14(15)27-11-24-17(18(27)21(28)29)19-25-20(31-26-19)16-8-9-22(3,4)30-16/h6-7,10-12,16H,5,8-9H2,1-4H3
InChIKeyBORZHRXGLRHKCQ-UHFFFAOYSA-N
XLogP4.44
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

3-[5-(5,5-dimethyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-7-fluoro-5-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one
CID 67889566
5-butan-2-yl-6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 57129804
7-fluoro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67887189
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-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
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
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-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67889655
5-butan-2-yl-6-fluoro-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67888360
5-butan-2-yl-7-chloro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 56618738
5-(2-methyloxolan-2-yl)-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67886818
3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(1-methoxypropan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 56616607

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(C)n1c(=O)c2c(-c3noc(C4CCC(C)(C)O4)n3)ncn2c2ccc(F)cc21.
What is the InChIKey of 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?
The InChIKey is BORZHRXGLRHKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-5-12(2)28-15-10-13(23)6-7-14(15)27-11-24-17(18(27)21(28)29)19-25-20(31-26-19)16-8-9-22(3,4)30-16/h6-7,10-12,16H,5,8-9H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 425.46 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67889460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).