5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one

C17H13F3N4O3 — CID 135138325

IUPAC5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
SMILESO=c1cc(-c2cnc(OC3CC(c4ccc(C(F)(F)F)cn4)C3)cn2)o[nH]1
InChIInChI=1S/C17H13F3N4O3/c18-17(19,20)10-1-2-12(21-6-10)9-3-11(4-9)26-16-8-22-13(7-23-16)14-5-15(25)24-27-14/h1-2,5-9,11H,3-4H2,(H,24,25)
InChIKeyRITXLBJZJCWPIM-UHFFFAOYSA-N
MW378.31 g/mol
LogP3.16
Rot. Bonds4

About 5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one

5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one (PubChem CID 135138325) has the molecular formula C17H13F3N4O3 and a molecular weight of 378.31 g/mol. Its IUPAC name is 5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
PubChem CID135138325
Molecular FormulaC17H13F3N4O3
Molecular Weight378.31 g/mol
Exact Mass378.09
IUPAC Name5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
SMILESO=c1cc(-c2cnc(OC3CC(c4ccc(C(F)(F)F)cn4)C3)cn2)o[nH]1
InChIInChI=1S/C17H13F3N4O3/c18-17(19,20)10-1-2-12(21-6-10)9-3-11(4-9)26-16-8-22-13(7-23-16)14-5-15(25)24-27-14/h1-2,5-9,11H,3-4H2,(H,24,25)
InChIKeyRITXLBJZJCWPIM-UHFFFAOYSA-N
XLogP3.16
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one (CID 135138325) is 5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one is O=c1cc(-c2cnc(OC3CC(c4ccc(C(F)(F)F)cn4)C3)cn2)o[nH]1.
What is the InChIKey of 5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The InChIKey is RITXLBJZJCWPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O3/c18-17(19,20)10-1-2-12(21-6-10)9-3-11(4-9)26-16-8-22-13(7-23-16)14-5-15(25)24-27-14/h1-2,5-9,11H,3-4H2,(H,24,25).
What are the key properties of 5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one has a molecular weight of 378.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 135138325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).