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

C17H10F2N4O2 — CID 157324497

IUPAC6-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
SMILESO=c1[nH]c2nonc2nc1Cc1ccc(-c2ccc(F)cc2)cc1F
InChIInChI=1S/C17H10F2N4O2/c18-12-5-3-9(4-6-12)10-1-2-11(13(19)7-10)8-14-17(24)21-16-15(20-14)22-25-23-16/h1-7H,8H2,(H,21,23,24)
InChIKeyBENZMMMSMIXNLI-UHFFFAOYSA-N
MW340.29 g/mol
LogP2.84
Rot. Bonds3

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

6-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one (PubChem CID 157324497) has the molecular formula C17H10F2N4O2 and a molecular weight of 340.29 g/mol. Its IUPAC name is 6-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one.

Molecular Properties

Compound Name6-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
PubChem CID157324497
Molecular FormulaC17H10F2N4O2
Molecular Weight340.29 g/mol
Exact Mass340.08
IUPAC Name6-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
SMILESO=c1[nH]c2nonc2nc1Cc1ccc(-c2ccc(F)cc2)cc1F
InChIInChI=1S/C17H10F2N4O2/c18-12-5-3-9(4-6-12)10-1-2-11(13(19)7-10)8-14-17(24)21-16-15(20-14)22-25-23-16/h1-7H,8H2,(H,21,23,24)
InChIKeyBENZMMMSMIXNLI-UHFFFAOYSA-N
XLogP2.84
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
The IUPAC name of 6-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one (CID 157324497) is 6-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one.
What is the SMILES notation for 6-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
The canonical SMILES for 6-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one is O=c1[nH]c2nonc2nc1Cc1ccc(-c2ccc(F)cc2)cc1F.
What is the InChIKey of 6-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
The InChIKey is BENZMMMSMIXNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N4O2/c18-12-5-3-9(4-6-12)10-1-2-11(13(19)7-10)8-14-17(24)21-16-15(20-14)22-25-23-16/h1-7H,8H2,(H,21,23,24).
What are the key properties of 6-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
6-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one has a molecular weight of 340.29 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]-4H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one is sourced from PubChem (CID 157324497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).