3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one

C21H16FN5O3 — CID 56615218

IUPAC3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCOCCn1c(=O)c2c(-c3nc(-c4ccc(F)cc4)no3)ncn2c2ccccc21
InChIInChI=1S/C21H16FN5O3/c1-29-11-10-26-15-4-2-3-5-16(15)27-12-23-17(18(27)21(26)28)20-24-19(25-30-20)13-6-8-14(22)9-7-13/h2-9,12H,10-11H2,1H3
InChIKeyLZSMZAJSHSPJRA-UHFFFAOYSA-N
MW405.39 g/mol
LogP3.15
Rot. Bonds5

About 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 56615218) has the molecular formula C21H16FN5O3 and a molecular weight of 405.39 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID56615218
Molecular FormulaC21H16FN5O3
Molecular Weight405.39 g/mol
Exact Mass405.12
IUPAC Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCOCCn1c(=O)c2c(-c3nc(-c4ccc(F)cc4)no3)ncn2c2ccccc21
InChIInChI=1S/C21H16FN5O3/c1-29-11-10-26-15-4-2-3-5-16(15)27-12-23-17(18(27)21(26)28)20-24-19(25-30-20)13-6-8-14(22)9-7-13/h2-9,12H,10-11H2,1H3
InChIKeyLZSMZAJSHSPJRA-UHFFFAOYSA-N
XLogP3.15
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one (CID 56615218) is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one is COCCn1c(=O)c2c(-c3nc(-c4ccc(F)cc4)no3)ncn2c2ccccc21.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is LZSMZAJSHSPJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O3/c1-29-11-10-26-15-4-2-3-5-16(15)27-12-23-17(18(27)21(26)28)20-24-19(25-30-20)13-6-8-14(22)9-7-13/h2-9,12H,10-11H2,1H3.
What are the key properties of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one?
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 405.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 56615218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).