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

C18H13F4N3O4 — CID 135138798

IUPAC5-[5-[3-[4-(difluoromethoxy)-3,5-difluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
SMILESO=c1cc(-c2cnc(OC3CC(c4cc(F)c(OC(F)F)c(F)c4)C3)cn2)o[nH]1
InChIInChI=1S/C18H13F4N3O4/c19-11-3-9(4-12(20)17(11)28-18(21)22)8-1-10(2-8)27-16-7-23-13(6-24-16)14-5-15(26)25-29-14/h3-8,10,18H,1-2H2,(H,25,26)
InChIKeyHSZVETIOSFTQCC-UHFFFAOYSA-N
MW411.31 g/mol
LogP3.63
Rot. Bonds6

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

5-[5-[3-[4-(difluoromethoxy)-3,5-difluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one (PubChem CID 135138798) has the molecular formula C18H13F4N3O4 and a molecular weight of 411.31 g/mol. Its IUPAC name is 5-[5-[3-[4-(difluoromethoxy)-3,5-difluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[5-[3-[4-(difluoromethoxy)-3,5-difluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
PubChem CID135138798
Molecular FormulaC18H13F4N3O4
Molecular Weight411.31 g/mol
Exact Mass411.08
IUPAC Name5-[5-[3-[4-(difluoromethoxy)-3,5-difluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
SMILESO=c1cc(-c2cnc(OC3CC(c4cc(F)c(OC(F)F)c(F)c4)C3)cn2)o[nH]1
InChIInChI=1S/C18H13F4N3O4/c19-11-3-9(4-12(20)17(11)28-18(21)22)8-1-10(2-8)27-16-7-23-13(6-24-16)14-5-15(26)25-29-14/h3-8,10,18H,1-2H2,(H,25,26)
InChIKeyHSZVETIOSFTQCC-UHFFFAOYSA-N
XLogP3.63
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[5-[3-[4-(difluoromethoxy)-3,5-difluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-[4-(difluoromethoxy)-3,5-difluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[5-[3-[4-(difluoromethoxy)-3,5-difluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one (CID 135138798) is 5-[5-[3-[4-(difluoromethoxy)-3,5-difluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[5-[3-[4-(difluoromethoxy)-3,5-difluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[5-[3-[4-(difluoromethoxy)-3,5-difluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one is O=c1cc(-c2cnc(OC3CC(c4cc(F)c(OC(F)F)c(F)c4)C3)cn2)o[nH]1.
What is the InChIKey of 5-[5-[3-[4-(difluoromethoxy)-3,5-difluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The InChIKey is HSZVETIOSFTQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O4/c19-11-3-9(4-12(20)17(11)28-18(21)22)8-1-10(2-8)27-16-7-23-13(6-24-16)14-5-15(26)25-29-14/h3-8,10,18H,1-2H2,(H,25,26).
What are the key properties of 5-[5-[3-[4-(difluoromethoxy)-3,5-difluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
5-[5-[3-[4-(difluoromethoxy)-3,5-difluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one has a molecular weight of 411.31 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-[4-(difluoromethoxy)-3,5-difluorophenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 135138798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).