5-[5-[3-[4-fluoro-3-(1-fluoroethyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one

C19H17F2N3O3 — CID 135140642

About 5-[5-[3-[4-fluoro-3-(1-fluoroethyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one

5-[5-[3-[4-fluoro-3-(1-fluoroethyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one (PubChem CID 135140642) has the molecular formula C19H17F2N3O3 and a molecular weight of 373.36 g/mol. Its IUPAC name is 5-[5-[3-[4-fluoro-3-(1-fluoroethyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one.

Molecular Properties

• Compound Name: 5-[5-[3-[4-fluoro-3-(1-fluoroethyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
• PubChem CID: 135140642
• Molecular Formula: C19H17F2N3O3
• Molecular Weight: 373.36 g/mol
• Exact Mass: 373.12
• IUPAC Name: 5-[5-[3-[4-fluoro-3-(1-fluoroethyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
• SMILES: CC(F)c1cc(C2CC(Oc3cnc(-c4cc(=O)[nH]o4)cn3)C2)ccc1F
• InChI: InChI=1S/C19H17F2N3O3/c1-10(20)14-6-11(2-3-15(14)21)12-4-13(5-12)26-19-9-22-16(8-23-19)17-7-18(25)24-27-17/h2-3,6-10,12-13H,4-5H2,1H3,(H,24,25)
• InChIKey: AUULGKMAKTUJSH-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 81.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.36
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-[4-fluoro-3-(1-fluoroethyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?

The IUPAC name of 5-[5-[3-[4-fluoro-3-(1-fluoroethyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one (CID 135140642) is 5-[5-[3-[4-fluoro-3-(1-fluoroethyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one.

What is the SMILES notation for 5-[5-[3-[4-fluoro-3-(1-fluoroethyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?

The canonical SMILES for 5-[5-[3-[4-fluoro-3-(1-fluoroethyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one is CC(F)c1cc(C2CC(Oc3cnc(-c4cc(=O)[nH]o4)cn3)C2)ccc1F.

What is the InChIKey of 5-[5-[3-[4-fluoro-3-(1-fluoroethyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?

The InChIKey is AUULGKMAKTUJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3/c1-10(20)14-6-11(2-3-15(14)21)12-4-13(5-12)26-19-9-22-16(8-23-19)17-7-18(25)24-27-17/h2-3,6-10,12-13H,4-5H2,1H3,(H,24,25).

What are the key properties of 5-[5-[3-[4-fluoro-3-(1-fluoroethyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?

5-[5-[3-[4-fluoro-3-(1-fluoroethyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one has a molecular weight of 373.36 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[3-[4-fluoro-3-(1-fluoroethyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 135140642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).