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

C19H16F2N2O4 — CID 121447173

IUPAC5-[[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one
SMILESO=c1cc(COc2c(F)cc(-c3cccnc3OC3CCC3)cc2F)o[nH]1
InChIInChI=1S/C19H16F2N2O4/c20-15-7-11(14-5-2-6-22-19(14)26-12-3-1-4-12)8-16(21)18(15)25-10-13-9-17(24)23-27-13/h2,5-9,12H,1,3-4,10H2,(H,23,24)
InChIKeyUFHHHBTYSYNJLF-UHFFFAOYSA-N
MW374.34 g/mol
LogP3.82
Rot. Bonds6

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

5-[[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one (PubChem CID 121447173) has the molecular formula C19H16F2N2O4 and a molecular weight of 374.34 g/mol. Its IUPAC name is 5-[[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one
PubChem CID121447173
Molecular FormulaC19H16F2N2O4
Molecular Weight374.34 g/mol
Exact Mass374.11
IUPAC Name5-[[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one
SMILESO=c1cc(COc2c(F)cc(-c3cccnc3OC3CCC3)cc2F)o[nH]1
InChIInChI=1S/C19H16F2N2O4/c20-15-7-11(14-5-2-6-22-19(14)26-12-3-1-4-12)8-16(21)18(15)25-10-13-9-17(24)23-27-13/h2,5-9,12H,1,3-4,10H2,(H,23,24)
InChIKeyUFHHHBTYSYNJLF-UHFFFAOYSA-N
XLogP3.82
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-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-[[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one (CID 121447173) is 5-[[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one is O=c1cc(COc2c(F)cc(-c3cccnc3OC3CCC3)cc2F)o[nH]1.
What is the InChIKey of 5-[[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one?
The InChIKey is UFHHHBTYSYNJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O4/c20-15-7-11(14-5-2-6-22-19(14)26-12-3-1-4-12)8-16(21)18(15)25-10-13-9-17(24)23-27-13/h2,5-9,12H,1,3-4,10H2,(H,23,24).
What are the key properties of 5-[[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one?
5-[[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one has a molecular weight of 374.34 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenoxy]methyl]-1,2-oxazol-3-one is sourced from PubChem (CID 121447173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).