3-(6-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole

C19H10ClF2N5O2 — CID 67887376

IUPAC3-(6-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole
SMILESCc1c2c(-c3noc(-c4ccc(F)cc4F)n3)ncn2c2cccc(Cl)c2[n+]1[O-]
InChIInChI=1S/C19H10ClF2N5O2/c1-9-16-15(18-24-19(29-25-18)11-6-5-10(21)7-13(11)22)23-8-26(16)14-4-2-3-12(20)17(14)27(9)28/h2-8H,1H3
InChIKeyDVXOQYPRJUIAEO-UHFFFAOYSA-N
MW413.77 g/mol
LogP4.08
Rot. Bonds2

About 3-(6-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole

3-(6-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole (PubChem CID 67887376) has the molecular formula C19H10ClF2N5O2 and a molecular weight of 413.77 g/mol. Its IUPAC name is 3-(6-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(6-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole
PubChem CID67887376
Molecular FormulaC19H10ClF2N5O2
Molecular Weight413.77 g/mol
Exact Mass413.05
IUPAC Name3-(6-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole
SMILESCc1c2c(-c3noc(-c4ccc(F)cc4F)n3)ncn2c2cccc(Cl)c2[n+]1[O-]
InChIInChI=1S/C19H10ClF2N5O2/c1-9-16-15(18-24-19(29-25-18)11-6-5-10(21)7-13(11)22)23-8-26(16)14-4-2-3-12(20)17(14)27(9)28/h2-8H,1H3
InChIKeyDVXOQYPRJUIAEO-UHFFFAOYSA-N
XLogP4.08
TPSA83.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.77
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-(6-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 67888905
1-[5-(6-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-ol
CID 67886842
5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 67886994
2-[3-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 67887028
3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67887540
5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(2-methylcyclopropyl)-1,2,4-oxadiazole
CID 67889552
3-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-5-(thiolan-3-yl)-1,2,4-oxadiazole
CID 67887433
7-fluoro-3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-6-carbonitrile
CID 56994874
7-chloro-3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-6-carbonitrile
CID 67886688
5-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole
CID 67887431
2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136670695
7-fluoro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-6-carbonitrile
CID 67886943

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 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) is 3-(6-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(6-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(6-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole is Cc1c2c(-c3noc(-c4ccc(F)cc4F)n3)ncn2c2cccc(Cl)c2[n+]1[O-].
What is the InChIKey of 3-(6-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole?
The InChIKey is DVXOQYPRJUIAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF2N5O2/c1-9-16-15(18-24-19(29-25-18)11-6-5-10(21)7-13(11)22)23-8-26(16)14-4-2-3-12(20)17(14)27(9)28/h2-8H,1H3.
What are the key properties of 3-(6-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole?
3-(6-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole has a molecular weight of 413.77 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 67887376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).