5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one

C18H14F3N3O3 — CID 135124630

IUPAC5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
SMILESO=c1cc(-c2cnc(OC3CC(c4ccc(C(F)F)c(F)c4)C3)cn2)o[nH]1
InChIInChI=1S/C18H14F3N3O3/c19-13-5-9(1-2-12(13)18(20)21)10-3-11(4-10)26-17-8-22-14(7-23-17)15-6-16(25)24-27-15/h1-2,5-8,10-11,18H,3-4H2,(H,24,25)
InChIKeyMJJVCCLLIGWTRW-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.83
Rot. Bonds5

About 5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one

5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one (PubChem CID 135124630) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
PubChem CID135124630
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
SMILESO=c1cc(-c2cnc(OC3CC(c4ccc(C(F)F)c(F)c4)C3)cn2)o[nH]1
InChIInChI=1S/C18H14F3N3O3/c19-13-5-9(1-2-12(13)18(20)21)10-3-11(4-10)26-17-8-22-14(7-23-17)15-6-16(25)24-27-15/h1-2,5-8,10-11,18H,3-4H2,(H,24,25)
InChIKeyMJJVCCLLIGWTRW-UHFFFAOYSA-N
XLogP3.83
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.83
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-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one (CID 135124630) is 5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one is O=c1cc(-c2cnc(OC3CC(c4ccc(C(F)F)c(F)c4)C3)cn2)o[nH]1.
What is the InChIKey of 5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The InChIKey is MJJVCCLLIGWTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c19-13-5-9(1-2-12(13)18(20)21)10-3-11(4-10)26-17-8-22-14(7-23-17)15-6-16(25)24-27-15/h1-2,5-8,10-11,18H,3-4H2,(H,24,25).
What are the key properties of 5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one has a molecular weight of 377.32 g/mol, XLogP of 3.83, 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-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 135124630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).