[3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol

C16H10F3NO2 — CID 131868233

IUPAC[3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2cccc(F)c2F)noc1-c1ccc(F)cc1
InChIInChI=1S/C16H10F3NO2/c17-10-6-4-9(5-7-10)16-12(8-21)15(20-22-16)11-2-1-3-13(18)14(11)19/h1-7,21H,8H2
InChIKeyOTYKJRXJQUJATJ-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.92
Rot. Bonds3

About [3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol

[3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131868233) has the molecular formula C16H10F3NO2 and a molecular weight of 305.25 g/mol. Its IUPAC name is [3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131868233
Molecular FormulaC16H10F3NO2
Molecular Weight305.25 g/mol
Exact Mass305.07
IUPAC Name[3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2cccc(F)c2F)noc1-c1ccc(F)cc1
InChIInChI=1S/C16H10F3NO2/c17-10-6-4-9(5-7-10)16-12(8-21)15(20-22-16)11-2-1-3-13(18)14(11)19/h1-7,21H,8H2
InChIKeyOTYKJRXJQUJATJ-UHFFFAOYSA-N
XLogP3.92
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,3-difluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868496
[3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868157
[5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866952
[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866878
[3-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867217
[3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868204
[5-(4-chlorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866897
[3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868268
[3-(2,3-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867107
[3-(3,5-difluorophenyl)-5-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868050
[3-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868178
[5-(3-bromophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868468

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol (CID 131868233) is [3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol is OCc1c(-c2cccc(F)c2F)noc1-c1ccc(F)cc1.
What is the InChIKey of [3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is OTYKJRXJQUJATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO2/c17-10-6-4-9(5-7-10)16-12(8-21)15(20-22-16)11-2-1-3-13(18)14(11)19/h1-7,21H,8H2.
What are the key properties of [3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol?
[3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 305.25 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131868233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).