5-[[4-[2-(cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one

C20H18F2N2O4 — CID 121447020

IUPAC5-[[4-[2-(cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one
SMILESO=c1cc(COc2c(F)cc(-c3cccnc3OCC3CCC3)cc2F)o[nH]1
InChIInChI=1S/C20H18F2N2O4/c21-16-7-13(8-17(22)19(16)26-11-14-9-18(25)24-28-14)15-5-2-6-23-20(15)27-10-12-3-1-4-12/h2,5-9,12H,1,3-4,10-11H2,(H,24,25)
InChIKeyAMCNJGWSCLLZLT-UHFFFAOYSA-N
MW388.37 g/mol
LogP4.07
Rot. Bonds7

About 5-[[4-[2-(cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one

5-[[4-[2-(cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one (PubChem CID 121447020) has the molecular formula C20H18F2N2O4 and a molecular weight of 388.37 g/mol. Its IUPAC name is 5-[[4-[2-(cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[[4-[2-(cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one
PubChem CID121447020
Molecular FormulaC20H18F2N2O4
Molecular Weight388.37 g/mol
Exact Mass388.12
IUPAC Name5-[[4-[2-(cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one
SMILESO=c1cc(COc2c(F)cc(-c3cccnc3OCC3CCC3)cc2F)o[nH]1
InChIInChI=1S/C20H18F2N2O4/c21-16-7-13(8-17(22)19(16)26-11-14-9-18(25)24-28-14)15-5-2-6-23-20(15)27-10-12-3-1-4-12/h2,5-9,12H,1,3-4,10-11H2,(H,24,25)
InChIKeyAMCNJGWSCLLZLT-UHFFFAOYSA-N
XLogP4.07
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[4-[2-(cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[[4-[2-(cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one (CID 121447020) is 5-[[4-[2-(cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[[4-[2-(cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[[4-[2-(cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one is O=c1cc(COc2c(F)cc(-c3cccnc3OCC3CCC3)cc2F)o[nH]1.
What is the InChIKey of 5-[[4-[2-(cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one?
The InChIKey is AMCNJGWSCLLZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4/c21-16-7-13(8-17(22)19(16)26-11-14-9-18(25)24-28-14)15-5-2-6-23-20(15)27-10-12-3-1-4-12/h2,5-9,12H,1,3-4,10-11H2,(H,24,25).
What are the key properties of 5-[[4-[2-(cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one?
5-[[4-[2-(cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one has a molecular weight of 388.37 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one is sourced from PubChem (CID 121447020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).