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

C19H21N5O4 — CID 67886449

IUPAC5-(2-methoxyethyl)-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
SMILESCOCCn1c(=O)c2c(-c3noc(C(C)COC)n3)ncn2c2ccccc21
InChIInChI=1S/C19H21N5O4/c1-12(10-27-3)18-21-17(22-28-18)15-16-19(25)23(8-9-26-2)13-6-4-5-7-14(13)24(16)11-20-15/h4-7,11-12H,8-10H2,1-3H3
InChIKeyGXLPGTXSKJLBTG-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.10
Rot. Bonds7

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

5-(2-methoxyethyl)-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67886449) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name5-(2-methoxyethyl)-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
PubChem CID67886449
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name5-(2-methoxyethyl)-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
SMILESCOCCn1c(=O)c2c(-c3noc(C(C)COC)n3)ncn2c2ccccc21
InChIInChI=1S/C19H21N5O4/c1-12(10-27-3)18-21-17(22-28-18)15-16-19(25)23(8-9-26-2)13-6-4-5-7-14(13)24(16)11-20-15/h4-7,11-12H,8-10H2,1-3H3
InChIKeyGXLPGTXSKJLBTG-UHFFFAOYSA-N
XLogP2.10
TPSA96.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67887540
5-butan-2-yl-6-chloro-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67887047
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-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67888260
3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67887135
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
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
3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-methoxyethyl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67889497
5-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67888939
3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-[2-(4-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one
CID 67889406

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 5-(2-methoxyethyl)-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one (CID 67886449) is 5-(2-methoxyethyl)-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 5-(2-methoxyethyl)-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 5-(2-methoxyethyl)-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one is COCCn1c(=O)c2c(-c3noc(C(C)COC)n3)ncn2c2ccccc21.
What is the InChIKey of 5-(2-methoxyethyl)-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is GXLPGTXSKJLBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-12(10-27-3)18-21-17(22-28-18)15-16-19(25)23(8-9-26-2)13-6-4-5-7-14(13)24(16)11-20-15/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of 5-(2-methoxyethyl)-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?
5-(2-methoxyethyl)-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 383.41 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67886449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).