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

C17H13F2NO2 — CID 131868496

IUPAC[3-(2,3-difluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
SMILESCc1ccc(-c2onc(-c3cccc(F)c3F)c2CO)cc1
InChIInChI=1S/C17H13F2NO2/c1-10-5-7-11(8-6-10)17-13(9-21)16(20-22-17)12-3-2-4-14(18)15(12)19/h2-8,21H,9H2,1H3
InChIKeyLRIFUGIQLUXUAO-UHFFFAOYSA-N
MW301.29 g/mol
LogP4.09
Rot. Bonds3

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

[3-(2,3-difluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131868496) has the molecular formula C17H13F2NO2 and a molecular weight of 301.29 g/mol. Its IUPAC name is [3-(2,3-difluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2,3-difluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131868496
Molecular FormulaC17H13F2NO2
Molecular Weight301.29 g/mol
Exact Mass301.09
IUPAC Name[3-(2,3-difluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
SMILESCc1ccc(-c2onc(-c3cccc(F)c3F)c2CO)cc1
InChIInChI=1S/C17H13F2NO2/c1-10-5-7-11(8-6-10)17-13(9-21)16(20-22-17)12-3-2-4-14(18)15(12)19/h2-8,21H,9H2,1H3
InChIKeyLRIFUGIQLUXUAO-UHFFFAOYSA-N
XLogP4.09
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 54.09
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-(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
[3-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868178
[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866878
[3-(3-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867751
[3-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867217
[3-(2,3-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867107
[3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868268
[5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866841
1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 118910762
[3-naphthalen-1-yl-5-(2,3,4-trifluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868285

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-difluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(2,3-difluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol (CID 131868496) is [3-(2,3-difluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(2,3-difluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(2,3-difluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol is Cc1ccc(-c2onc(-c3cccc(F)c3F)c2CO)cc1.
What is the InChIKey of [3-(2,3-difluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is LRIFUGIQLUXUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO2/c1-10-5-7-11(8-6-10)17-13(9-21)16(20-22-17)12-3-2-4-14(18)15(12)19/h2-8,21H,9H2,1H3.
What are the key properties of [3-(2,3-difluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol?
[3-(2,3-difluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 301.29 g/mol, XLogP of 4.09, 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-methylphenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131868496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).