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

C16H14FN5O3 — CID 67887028

IUPAC2-[3-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCc1c2c(-c3noc(C(C)(C)O)n3)ncn2c2ccc(F)cc2[n+]1[O-]
InChIInChI=1S/C16H14FN5O3/c1-8-13-12(14-19-15(25-20-14)16(2,3)23)18-7-21(13)10-5-4-9(17)6-11(10)22(8)24/h4-7,23H,1-3H3
InChIKeyIBDGNVPHNHMSQG-UHFFFAOYSA-N
MW343.32 g/mol
LogP1.85
Rot. Bonds2

About 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

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 (PubChem CID 67887028) has the molecular formula C16H14FN5O3 and a molecular weight of 343.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[3-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID67887028
Molecular FormulaC16H14FN5O3
Molecular Weight343.32 g/mol
Exact Mass343.11
IUPAC Name2-[3-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCc1c2c(-c3noc(C(C)(C)O)n3)ncn2c2ccc(F)cc2[n+]1[O-]
InChIInChI=1S/C16H14FN5O3/c1-8-13-12(14-19-15(25-20-14)16(2,3)23)18-7-21(13)10-5-4-9(17)6-11(10)22(8)24/h4-7,23H,1-3H3
InChIKeyIBDGNVPHNHMSQG-UHFFFAOYSA-N
XLogP1.85
TPSA103.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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
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
5-(7-fluoro-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-3-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole
CID 67887431
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
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-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
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
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
7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67889189
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c2c(-c3noc(C(C)(C)O)n3)ncn2c2ccc(F)cc2[n+]1[O-].
What is the InChIKey of 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?
The InChIKey is IBDGNVPHNHMSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O3/c1-8-13-12(14-19-15(25-20-14)16(2,3)23)18-7-21(13)10-5-4-9(17)6-11(10)22(8)24/h4-7,23H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 343.32 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67887028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).