6-[[3-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one

C20H16N4O4 — CID 159665566

IUPAC6-[[3-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
SMILESCc1ccc(C(=O)COc2cccc(Cc3nc4nonc4[nH]c3=O)c2)cc1
InChIInChI=1S/C20H16N4O4/c1-12-5-7-14(8-6-12)17(25)11-27-15-4-2-3-13(9-15)10-16-20(26)22-19-18(21-16)23-28-24-19/h2-9H,10-11H2,1H3,(H,22,24,26)
InChIKeyRGALWBYUHQLBGV-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.47
Rot. Bonds6

About 6-[[3-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one

6-[[3-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one (PubChem CID 159665566) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is 6-[[3-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one.

Molecular Properties

Compound Name6-[[3-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
PubChem CID159665566
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name6-[[3-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
SMILESCc1ccc(C(=O)COc2cccc(Cc3nc4nonc4[nH]c3=O)c2)cc1
InChIInChI=1S/C20H16N4O4/c1-12-5-7-14(8-6-12)17(25)11-27-15-4-2-3-13(9-15)10-16-20(26)22-19-18(21-16)23-28-24-19/h2-9H,10-11H2,1H3,(H,22,24,26)
InChIKeyRGALWBYUHQLBGV-UHFFFAOYSA-N
XLogP2.47
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(3-tert-butylphenyl)methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
CID 159462999
2-(3-ethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411800
3-[[3-[2-(4-chloro-3-methylphenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one
CID 10926721
N-[4-[2-(3-methylphenoxy)acetyl]phenyl]acetamide
CID 167959701
N-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide
CID 19644977
6-[2-hydroxy-2-(4-methylphenyl)ethenyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
CID 136882696
2-(3-ethoxyphenoxy)-1-(4-ethylphenyl)ethanone
CID 62338272
2-[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-(4-methylphenyl)ethanone
CID 46160785
2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240
2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43411799
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523
6-[2-(4-methoxyphenyl)-2-oxoethoxy]-1H-quinolin-2-one
CID 121005750

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
The IUPAC name of 6-[[3-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one (CID 159665566) is 6-[[3-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one.
What is the SMILES notation for 6-[[3-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
The canonical SMILES for 6-[[3-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one is Cc1ccc(C(=O)COc2cccc(Cc3nc4nonc4[nH]c3=O)c2)cc1.
What is the InChIKey of 6-[[3-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
The InChIKey is RGALWBYUHQLBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-12-5-7-14(8-6-12)17(25)11-27-15-4-2-3-13(9-15)10-16-20(26)22-19-18(21-16)23-28-24-19/h2-9H,10-11H2,1H3,(H,22,24,26).
What are the key properties of 6-[[3-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
6-[[3-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one has a molecular weight of 376.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one is sourced from PubChem (CID 159665566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).