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

C16H9F4NO2 — CID 131868157

IUPAC[3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2cccc(F)c2F)noc1-c1cc(F)cc(F)c1
InChIInChI=1S/C16H9F4NO2/c17-9-4-8(5-10(18)6-9)16-12(7-22)15(21-23-16)11-2-1-3-13(19)14(11)20/h1-6,22H,7H2
InChIKeyFDQLFZVNXPGICB-UHFFFAOYSA-N
MW323.25 g/mol
LogP4.06
Rot. Bonds3

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

[3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131868157) has the molecular formula C16H9F4NO2 and a molecular weight of 323.25 g/mol. Its IUPAC name is [3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131868157
Molecular FormulaC16H9F4NO2
Molecular Weight323.25 g/mol
Exact Mass323.06
IUPAC Name[3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2cccc(F)c2F)noc1-c1cc(F)cc(F)c1
InChIInChI=1S/C16H9F4NO2/c17-9-4-8(5-10(18)6-9)16-12(7-22)15(21-23-16)11-2-1-3-13(19)14(11)20/h1-6,22H,7H2
InChIKeyFDQLFZVNXPGICB-UHFFFAOYSA-N
XLogP4.06
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868233
[3-(2,3-difluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868496
[5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866952
[3-(3,5-difluorophenyl)-5-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868050
[5-(3,5-difluorophenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868139
[3-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867217
[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
[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866878
[3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868204
[5-(3-bromophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868468
[3-(3-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867751

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol (CID 131868157) is [3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol is OCc1c(-c2cccc(F)c2F)noc1-c1cc(F)cc(F)c1.
What is the InChIKey of [3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is FDQLFZVNXPGICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4NO2/c17-9-4-8(5-10(18)6-9)16-12(7-22)15(21-23-16)11-2-1-3-13(19)14(11)20/h1-6,22H,7H2.
What are the key properties of [3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol?
[3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 323.25 g/mol, XLogP of 4.06, 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-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131868157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).