6-fluoro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one

C18H16FN5O4 — CID 67888110

IUPAC6-fluoro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one
SMILESCC(CO)n1c(=O)c2c(-c3noc(C4(O)CC4)n3)ncn2c2cccc(F)c21
InChIInChI=1S/C18H16FN5O4/c1-9(7-25)24-13-10(19)3-2-4-11(13)23-8-20-12(14(23)16(24)26)15-21-17(28-22-15)18(27)5-6-18/h2-4,8-9,25,27H,5-7H2,1H3
InChIKeyDUZXZEXCWCHCQT-UHFFFAOYSA-N
MW385.36 g/mol
LogP1.37
Rot. Bonds4

About 6-fluoro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one

6-fluoro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67888110) has the molecular formula C18H16FN5O4 and a molecular weight of 385.36 g/mol. Its IUPAC name is 6-fluoro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name6-fluoro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID67888110
Molecular FormulaC18H16FN5O4
Molecular Weight385.36 g/mol
Exact Mass385.12
IUPAC Name6-fluoro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one
SMILESCC(CO)n1c(=O)c2c(-c3noc(C4(O)CC4)n3)ncn2c2cccc(F)c21
InChIInChI=1S/C18H16FN5O4/c1-9(7-25)24-13-10(19)3-2-4-11(13)23-8-20-12(14(23)16(24)26)15-21-17(28-22-15)18(27)5-6-18/h2-4,8-9,25,27H,5-7H2,1H3
InChIKeyDUZXZEXCWCHCQT-UHFFFAOYSA-N
XLogP1.37
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-fluoro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one with MolForge

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Related Compounds

7-fluoro-3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 57039104
6-fluoro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-[2-(3-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one
CID 67889427
5-butan-2-yl-7-chloro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 56618738
5-butan-2-yl-6-fluoro-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67888360
6-fluoro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886944
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
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
7-chloro-5-(1-hydroxypropan-2-yl)-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67886792
7-chloro-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one
CID 56607947
6-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67888999
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
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 6-fluoro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 6-fluoro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one (CID 67888110) is 6-fluoro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 6-fluoro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 6-fluoro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one is CC(CO)n1c(=O)c2c(-c3noc(C4(O)CC4)n3)ncn2c2cccc(F)c21.
What is the InChIKey of 6-fluoro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is DUZXZEXCWCHCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O4/c1-9(7-25)24-13-10(19)3-2-4-11(13)23-8-20-12(14(23)16(24)26)15-21-17(28-22-15)18(27)5-6-18/h2-4,8-9,25,27H,5-7H2,1H3.
What are the key properties of 6-fluoro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one?
6-fluoro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 385.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67888110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).