5-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole

C19H18FN5O3 — CID 67887431

IUPAC5-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole
SMILESCOC1(c2noc(-c3ncn4c3c(C)[n+]([O-])c3cc(F)ccc34)n2)CCCC1
InChIInChI=1S/C19H18FN5O3/c1-11-16-15(17-22-18(23-28-17)19(27-2)7-3-4-8-19)21-10-24(16)13-6-5-12(20)9-14(13)25(11)26/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyWUSBHPXCUYUZLB-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.03
Rot. Bonds3

About 5-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole

5-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole (PubChem CID 67887431) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is 5-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole
PubChem CID67887431
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name5-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole
SMILESCOC1(c2noc(-c3ncn4c3c(C)[n+]([O-])c3cc(F)ccc34)n2)CCCC1
InChIInChI=1S/C19H18FN5O3/c1-11-16-15(17-22-18(23-28-17)19(27-2)7-3-4-8-19)21-10-24(16)13-6-5-12(20)9-14(13)25(11)26/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyWUSBHPXCUYUZLB-UHFFFAOYSA-N
XLogP3.03
TPSA92.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 67886994
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
5-(7-chloro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(2-methylcyclopropyl)-1,2,4-oxadiazole
CID 67889552
6-chloro-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67886933
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
7-fluoro-5-(2-methoxyethyl)-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67887153
6-chloro-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
CID 56635280
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-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 116743211
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 104609683
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
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

Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole (CID 67887431) is 5-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole is COC1(c2noc(-c3ncn4c3c(C)[n+]([O-])c3cc(F)ccc34)n2)CCCC1.
What is the InChIKey of 5-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole?
The InChIKey is WUSBHPXCUYUZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3/c1-11-16-15(17-22-18(23-28-17)19(27-2)7-3-4-8-19)21-10-24(16)13-6-5-12(20)9-14(13)25(11)26/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 5-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole?
5-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole has a molecular weight of 383.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole is sourced from PubChem (CID 67887431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).