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

C16H10ClF2NO2 — CID 131866952

IUPAC[5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2cccc(F)c2F)noc1-c1cccc(Cl)c1
InChIInChI=1S/C16H10ClF2NO2/c17-10-4-1-3-9(7-10)16-12(8-21)15(20-22-16)11-5-2-6-13(18)14(11)19/h1-7,21H,8H2
InChIKeyZVTUWOGBAKYJEL-UHFFFAOYSA-N
MW321.71 g/mol
LogP4.43
Rot. Bonds3

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

[5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131866952) has the molecular formula C16H10ClF2NO2 and a molecular weight of 321.71 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131866952
Molecular FormulaC16H10ClF2NO2
Molecular Weight321.71 g/mol
Exact Mass321.04
IUPAC Name[5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2cccc(F)c2F)noc1-c1cccc(Cl)c1
InChIInChI=1S/C16H10ClF2NO2/c17-10-4-1-3-9(7-10)16-12(8-21)15(20-22-16)11-5-2-6-13(18)14(11)19/h1-7,21H,8H2
InChIKeyZVTUWOGBAKYJEL-UHFFFAOYSA-N
XLogP4.43
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868157
[5-(3-chlorophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867906
[3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868268
[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-(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-(2,3-dichlorophenyl)-5-(3,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867941
[5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867285
[5-(3-bromophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868468
[5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868588
[3-(2,3-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867107

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol (CID 131866952) is [5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol is OCc1c(-c2cccc(F)c2F)noc1-c1cccc(Cl)c1.
What is the InChIKey of [5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is ZVTUWOGBAKYJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2NO2/c17-10-4-1-3-9(7-10)16-12(8-21)15(20-22-16)11-5-2-6-13(18)14(11)19/h1-7,21H,8H2.
What are the key properties of [5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol?
[5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 321.71 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131866952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).