3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one

C21H15F2N5O3 — CID 67887540

IUPAC3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCOCCn1c(=O)c2c(-c3noc(-c4ccc(F)cc4F)n3)ncn2c2ccccc21
InChIInChI=1S/C21H15F2N5O3/c1-30-9-8-27-15-4-2-3-5-16(15)28-11-24-17(18(28)21(27)29)19-25-20(31-26-19)13-7-6-12(22)10-14(13)23/h2-7,10-11H,8-9H2,1H3
InChIKeyPWAVXYQHZXNINQ-UHFFFAOYSA-N
MW423.38 g/mol
LogP3.29
Rot. Bonds5

About 3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one

3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67887540) has the molecular formula C21H15F2N5O3 and a molecular weight of 423.38 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID67887540
Molecular FormulaC21H15F2N5O3
Molecular Weight423.38 g/mol
Exact Mass423.11
IUPAC Name3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCOCCn1c(=O)c2c(-c3noc(-c4ccc(F)cc4F)n3)ncn2c2ccccc21
InChIInChI=1S/C21H15F2N5O3/c1-30-9-8-27-15-4-2-3-5-16(15)28-11-24-17(18(28)21(27)29)19-25-20(31-26-19)13-7-6-12(22)10-14(13)23/h2-7,10-11H,8-9H2,1H3
InChIKeyPWAVXYQHZXNINQ-UHFFFAOYSA-N
XLogP3.29
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2-methoxyethyl)-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67886449
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-fluoro-5-(2-methoxyethyl)-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67887153
7-fluoro-5-(2-methoxyethyl)-3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one
CID 56635421
3-(6-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole
CID 67887376
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886024
3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-methoxyethyl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67889497
7-fluoro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67887189
6-chloro-3-[3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67889253
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
7-chloro-5-(2-methoxyethyl)-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67887223
7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67889296

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one (CID 67887540) is 3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one is COCCn1c(=O)c2c(-c3noc(-c4ccc(F)cc4F)n3)ncn2c2ccccc21.
What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is PWAVXYQHZXNINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5O3/c1-30-9-8-27-15-4-2-3-5-16(15)28-11-24-17(18(28)21(27)29)19-25-20(31-26-19)13-7-6-12(22)10-14(13)23/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one?
3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 423.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67887540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).