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

C18H14F3N3O4 — CID 135138305

IUPAC5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
SMILESO=c1cc(-c2cnc(OC3CC(c4ccc(OC(F)(F)F)cc4)C3)cn2)o[nH]1
InChIInChI=1S/C18H14F3N3O4/c19-18(20,21)27-12-3-1-10(2-4-12)11-5-13(6-11)26-17-9-22-14(8-23-17)15-7-16(25)24-28-15/h1-4,7-9,11,13H,5-6H2,(H,24,25)
InChIKeyWKWQZRJOWYELGU-UHFFFAOYSA-N
MW393.32 g/mol
LogP3.65
Rot. Bonds5

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

5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one (PubChem CID 135138305) has the molecular formula C18H14F3N3O4 and a molecular weight of 393.32 g/mol. Its IUPAC name is 5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
PubChem CID135138305
Molecular FormulaC18H14F3N3O4
Molecular Weight393.32 g/mol
Exact Mass393.09
IUPAC Name5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
SMILESO=c1cc(-c2cnc(OC3CC(c4ccc(OC(F)(F)F)cc4)C3)cn2)o[nH]1
InChIInChI=1S/C18H14F3N3O4/c19-18(20,21)27-12-3-1-10(2-4-12)11-5-13(6-11)26-17-9-22-14(8-23-17)15-7-16(25)24-28-15/h1-4,7-9,11,13H,5-6H2,(H,24,25)
InChIKeyWKWQZRJOWYELGU-UHFFFAOYSA-N
XLogP3.65
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[5-[3-[4-(trifluoromethoxy)phenyl]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-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one (CID 135138305) is 5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one is O=c1cc(-c2cnc(OC3CC(c4ccc(OC(F)(F)F)cc4)C3)cn2)o[nH]1.
What is the InChIKey of 5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The InChIKey is WKWQZRJOWYELGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O4/c19-18(20,21)27-12-3-1-10(2-4-12)11-5-13(6-11)26-17-9-22-14(8-23-17)15-7-16(25)24-28-15/h1-4,7-9,11,13H,5-6H2,(H,24,25).
What are the key properties of 5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one has a molecular weight of 393.32 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 135138305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).