5-[5-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole

C18H15F2N3O3 — CID 175775619

IUPAC5-[5-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole
SMILESFC(F)Oc1ccc(C2CC(Oc3cnc(-c4ccno4)cn3)C2)cc1
InChIInChI=1S/C18H15F2N3O3/c19-18(20)25-13-3-1-11(2-4-13)12-7-14(8-12)24-17-10-21-15(9-22-17)16-5-6-23-26-16/h1-6,9-10,12,14,18H,7-8H2
InChIKeyAXNKGHBNWHUNIM-UHFFFAOYSA-N
MW359.33 g/mol
LogP4.06
Rot. Bonds6

About 5-[5-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole

5-[5-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole (PubChem CID 175775619) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is 5-[5-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole
PubChem CID175775619
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC Name5-[5-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole
SMILESFC(F)Oc1ccc(C2CC(Oc3cnc(-c4ccno4)cn3)C2)cc1
InChIInChI=1S/C18H15F2N3O3/c19-18(20)25-13-3-1-11(2-4-13)12-7-14(8-12)24-17-10-21-15(9-22-17)16-5-6-23-26-16/h1-6,9-10,12,14,18H,7-8H2
InChIKeyAXNKGHBNWHUNIM-UHFFFAOYSA-N
XLogP4.06
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole?
The IUPAC name of 5-[5-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole (CID 175775619) is 5-[5-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-[5-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole?
The canonical SMILES for 5-[5-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole is FC(F)Oc1ccc(C2CC(Oc3cnc(-c4ccno4)cn3)C2)cc1.
What is the InChIKey of 5-[5-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole?
The InChIKey is AXNKGHBNWHUNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c19-18(20)25-13-3-1-11(2-4-13)12-7-14(8-12)24-17-10-21-15(9-22-17)16-5-6-23-26-16/h1-6,9-10,12,14,18H,7-8H2.
What are the key properties of 5-[5-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole?
5-[5-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole has a molecular weight of 359.33 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-[4-(difluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole is sourced from PubChem (CID 175775619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).