6-(2-fluoroanilino)-2-(3-fluorophenyl)-4H-[1,3]oxazolo[4,5-b]pyrazin-5-one

C17H10F2N4O2 — CID 146198883

IUPAC6-(2-fluoroanilino)-2-(3-fluorophenyl)-4H-[1,3]oxazolo[4,5-b]pyrazin-5-one
SMILESO=c1[nH]c2nc(-c3cccc(F)c3)oc2nc1Nc1ccccc1F
InChIInChI=1S/C17H10F2N4O2/c18-10-5-3-4-9(8-10)16-23-14-17(25-16)22-13(15(24)21-14)20-12-7-2-1-6-11(12)19/h1-8H,(H,20,22)(H,21,24)
InChIKeyNWAWMRSOINEHSC-UHFFFAOYSA-N
MW340.29 g/mol
LogP3.60
Rot. Bonds3

About 6-(2-fluoroanilino)-2-(3-fluorophenyl)-4H-[1,3]oxazolo[4,5-b]pyrazin-5-one

6-(2-fluoroanilino)-2-(3-fluorophenyl)-4H-[1,3]oxazolo[4,5-b]pyrazin-5-one (PubChem CID 146198883) has the molecular formula C17H10F2N4O2 and a molecular weight of 340.29 g/mol. Its IUPAC name is 6-(2-fluoroanilino)-2-(3-fluorophenyl)-4H-[1,3]oxazolo[4,5-b]pyrazin-5-one.

Molecular Properties

Compound Name6-(2-fluoroanilino)-2-(3-fluorophenyl)-4H-[1,3]oxazolo[4,5-b]pyrazin-5-one
PubChem CID146198883
Molecular FormulaC17H10F2N4O2
Molecular Weight340.29 g/mol
Exact Mass340.08
IUPAC Name6-(2-fluoroanilino)-2-(3-fluorophenyl)-4H-[1,3]oxazolo[4,5-b]pyrazin-5-one
SMILESO=c1[nH]c2nc(-c3cccc(F)c3)oc2nc1Nc1ccccc1F
InChIInChI=1S/C17H10F2N4O2/c18-10-5-3-4-9(8-10)16-23-14-17(25-16)22-13(15(24)21-14)20-12-7-2-1-6-11(12)19/h1-8H,(H,20,22)(H,21,24)
InChIKeyNWAWMRSOINEHSC-UHFFFAOYSA-N
XLogP3.60
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroanilino)-2-(3-fluorophenyl)-4H-[1,3]oxazolo[4,5-b]pyrazin-5-one?
The IUPAC name of 6-(2-fluoroanilino)-2-(3-fluorophenyl)-4H-[1,3]oxazolo[4,5-b]pyrazin-5-one (CID 146198883) is 6-(2-fluoroanilino)-2-(3-fluorophenyl)-4H-[1,3]oxazolo[4,5-b]pyrazin-5-one.
What is the SMILES notation for 6-(2-fluoroanilino)-2-(3-fluorophenyl)-4H-[1,3]oxazolo[4,5-b]pyrazin-5-one?
The canonical SMILES for 6-(2-fluoroanilino)-2-(3-fluorophenyl)-4H-[1,3]oxazolo[4,5-b]pyrazin-5-one is O=c1[nH]c2nc(-c3cccc(F)c3)oc2nc1Nc1ccccc1F.
What is the InChIKey of 6-(2-fluoroanilino)-2-(3-fluorophenyl)-4H-[1,3]oxazolo[4,5-b]pyrazin-5-one?
The InChIKey is NWAWMRSOINEHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N4O2/c18-10-5-3-4-9(8-10)16-23-14-17(25-16)22-13(15(24)21-14)20-12-7-2-1-6-11(12)19/h1-8H,(H,20,22)(H,21,24).
What are the key properties of 6-(2-fluoroanilino)-2-(3-fluorophenyl)-4H-[1,3]oxazolo[4,5-b]pyrazin-5-one?
6-(2-fluoroanilino)-2-(3-fluorophenyl)-4H-[1,3]oxazolo[4,5-b]pyrazin-5-one has a molecular weight of 340.29 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroanilino)-2-(3-fluorophenyl)-4H-[1,3]oxazolo[4,5-b]pyrazin-5-one is sourced from PubChem (CID 146198883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).