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

C21H21N5O4 — CID 67886818

IUPAC5-(2-methyloxolan-2-yl)-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
SMILESCC1(n2c(=O)c3c(-c4noc(C5CCCO5)n4)ncn3c3ccccc32)CCCO1
InChIInChI=1S/C21H21N5O4/c1-21(9-5-11-29-21)26-14-7-3-2-6-13(14)25-12-22-16(17(25)20(26)27)18-23-19(30-24-18)15-8-4-10-28-15/h2-3,6-7,12,15H,4-5,8-11H2,1H3
InChIKeyKYGDHCPKOPBCLC-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.03
Rot. Bonds3

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

5-(2-methyloxolan-2-yl)-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67886818) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 5-(2-methyloxolan-2-yl)-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name5-(2-methyloxolan-2-yl)-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
PubChem CID67886818
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC Name5-(2-methyloxolan-2-yl)-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
SMILESCC1(n2c(=O)c3c(-c4noc(C5CCCO5)n4)ncn3c3ccccc32)CCCO1
InChIInChI=1S/C21H21N5O4/c1-21(9-5-11-29-21)26-14-7-3-2-6-13(14)25-12-22-16(17(25)20(26)27)18-23-19(30-24-18)15-8-4-10-28-15/h2-3,6-7,12,15H,4-5,8-11H2,1H3
InChIKeyKYGDHCPKOPBCLC-UHFFFAOYSA-N
XLogP3.03
TPSA96.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one
CID 67889235
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
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
3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67889268
6-chloro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one
CID 67886470
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-(3-methylbut-2-enyl)imidazo[1,5-a]quinoxalin-4-one
CID 19980314
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
3-[3-(2-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one
CID 67888285
4-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]-5-(trifluoromethyl)triazole-1-carbonitrile
CID 67888690
6-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67889233
7-chloro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67889666
3-[3-(3-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one
CID 67888177

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyloxolan-2-yl)-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 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) is 5-(2-methyloxolan-2-yl)-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 5-(2-methyloxolan-2-yl)-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 5-(2-methyloxolan-2-yl)-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one is CC1(n2c(=O)c3c(-c4noc(C5CCCO5)n4)ncn3c3ccccc32)CCCO1.
What is the InChIKey of 5-(2-methyloxolan-2-yl)-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is KYGDHCPKOPBCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-21(9-5-11-29-21)26-14-7-3-2-6-13(14)25-12-22-16(17(25)20(26)27)18-23-19(30-24-18)15-8-4-10-28-15/h2-3,6-7,12,15H,4-5,8-11H2,1H3.
What are the key properties of 5-(2-methyloxolan-2-yl)-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?
5-(2-methyloxolan-2-yl)-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 407.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyloxolan-2-yl)-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67886818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).