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

C19H17F2N3O3 — CID 135140642

IUPAC5-[5-[3-[4-fluoro-3-(1-fluoroethyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
SMILESCC(F)c1cc(C2CC(Oc3cnc(-c4cc(=O)[nH]o4)cn3)C2)ccc1F
InChIInChI=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)
InChIKeyAUULGKMAKTUJSH-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.92
Rot. Bonds5

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 Name5-[5-[3-[4-fluoro-3-(1-fluoroethyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
PubChem CID135140642
Molecular FormulaC19H17F2N3O3
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Name5-[5-[3-[4-fluoro-3-(1-fluoroethyl)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
SMILESCC(F)c1cc(C2CC(Oc3cnc(-c4cc(=O)[nH]o4)cn3)C2)ccc1F
InChIInChI=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)
InChIKeyAUULGKMAKTUJSH-UHFFFAOYSA-N
XLogP3.92
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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).