7-fluoro-5-propan-2-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one

C18H18FN5O2 — CID 67889636

IUPAC7-fluoro-5-propan-2-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)c1noc(-c2ncn3c2c(=O)n(C(C)C)c2cc(F)ccc23)n1
InChIInChI=1S/C18H18FN5O2/c1-9(2)16-21-17(26-22-16)14-15-18(25)24(10(3)4)13-7-11(19)5-6-12(13)23(15)8-20-14/h5-10H,1-4H3
InChIKeyLJHVEGOHWXPULD-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.54
Rot. Bonds3

About 7-fluoro-5-propan-2-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one

7-fluoro-5-propan-2-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67889636) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 7-fluoro-5-propan-2-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-fluoro-5-propan-2-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID67889636
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name7-fluoro-5-propan-2-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one
SMILESCC(C)c1noc(-c2ncn3c2c(=O)n(C(C)C)c2cc(F)ccc23)n1
InChIInChI=1S/C18H18FN5O2/c1-9(2)16-21-17(26-22-16)14-15-18(25)24(10(3)4)13-7-11(19)5-6-12(13)23(15)8-20-14/h5-10H,1-4H3
InChIKeyLJHVEGOHWXPULD-UHFFFAOYSA-N
XLogP3.54
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-propan-2-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-fluoro-5-propan-2-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one (CID 67889636) is 7-fluoro-5-propan-2-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-fluoro-5-propan-2-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-fluoro-5-propan-2-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one is CC(C)c1noc(-c2ncn3c2c(=O)n(C(C)C)c2cc(F)ccc23)n1.
What is the InChIKey of 7-fluoro-5-propan-2-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is LJHVEGOHWXPULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-9(2)16-21-17(26-22-16)14-15-18(25)24(10(3)4)13-7-11(19)5-6-12(13)23(15)8-20-14/h5-10H,1-4H3.
What are the key properties of 7-fluoro-5-propan-2-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one?
7-fluoro-5-propan-2-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 355.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-propan-2-yl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67889636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).