5-[5-[3-(2,6-difluoro-4-methylphenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one

C18H15F2N3O3 — CID 135138796

IUPAC5-[5-[3-(2,6-difluoro-4-methylphenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
SMILESCc1cc(F)c(C2CC(Oc3cnc(-c4cc(=O)[nH]o4)cn3)C2)c(F)c1
InChIInChI=1S/C18H15F2N3O3/c1-9-2-12(19)18(13(20)3-9)10-4-11(5-10)25-17-8-21-14(7-22-17)15-6-16(24)23-26-15/h2-3,6-8,10-11H,4-5H2,1H3,(H,23,24)
InChIKeyCHSNAMJDAYCCSU-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.34
Rot. Bonds4

About 5-[5-[3-(2,6-difluoro-4-methylphenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one

5-[5-[3-(2,6-difluoro-4-methylphenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one (PubChem CID 135138796) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is 5-[5-[3-(2,6-difluoro-4-methylphenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[5-[3-(2,6-difluoro-4-methylphenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
PubChem CID135138796
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC Name5-[5-[3-(2,6-difluoro-4-methylphenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one
SMILESCc1cc(F)c(C2CC(Oc3cnc(-c4cc(=O)[nH]o4)cn3)C2)c(F)c1
InChIInChI=1S/C18H15F2N3O3/c1-9-2-12(19)18(13(20)3-9)10-4-11(5-10)25-17-8-21-14(7-22-17)15-6-16(24)23-26-15/h2-3,6-8,10-11H,4-5H2,1H3,(H,23,24)
InChIKeyCHSNAMJDAYCCSU-UHFFFAOYSA-N
XLogP3.34
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-(2,6-difluoro-4-methylphenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[5-[3-(2,6-difluoro-4-methylphenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one (CID 135138796) is 5-[5-[3-(2,6-difluoro-4-methylphenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[5-[3-(2,6-difluoro-4-methylphenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[5-[3-(2,6-difluoro-4-methylphenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one is Cc1cc(F)c(C2CC(Oc3cnc(-c4cc(=O)[nH]o4)cn3)C2)c(F)c1.
What is the InChIKey of 5-[5-[3-(2,6-difluoro-4-methylphenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
The InChIKey is CHSNAMJDAYCCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c1-9-2-12(19)18(13(20)3-9)10-4-11(5-10)25-17-8-21-14(7-22-17)15-6-16(24)23-26-15/h2-3,6-8,10-11H,4-5H2,1H3,(H,23,24).
What are the key properties of 5-[5-[3-(2,6-difluoro-4-methylphenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one?
5-[5-[3-(2,6-difluoro-4-methylphenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one has a molecular weight of 359.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-(2,6-difluoro-4-methylphenyl)cyclobutyl]oxypyrazin-2-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 135138796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).