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

C17H13F2NO3 — CID 131868139

IUPAC[5-(3,5-difluorophenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol
SMILESCOc1ccccc1-c1noc(-c2cc(F)cc(F)c2)c1CO
InChIInChI=1S/C17H13F2NO3/c1-22-15-5-3-2-4-13(15)16-14(9-21)17(23-20-16)10-6-11(18)8-12(19)7-10/h2-8,21H,9H2,1H3
InChIKeyRWJWNZKZNYSUCT-UHFFFAOYSA-N
MW317.29 g/mol
LogP3.79
Rot. Bonds4

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

[5-(3,5-difluorophenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131868139) has the molecular formula C17H13F2NO3 and a molecular weight of 317.29 g/mol. Its IUPAC name is [5-(3,5-difluorophenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3,5-difluorophenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131868139
Molecular FormulaC17H13F2NO3
Molecular Weight317.29 g/mol
Exact Mass317.09
IUPAC Name[5-(3,5-difluorophenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol
SMILESCOc1ccccc1-c1noc(-c2cc(F)cc(F)c2)c1CO
InChIInChI=1S/C17H13F2NO3/c1-22-15-5-3-2-4-13(15)16-14(9-21)17(23-20-16)10-6-11(18)8-12(19)7-10/h2-8,21H,9H2,1H3
InChIKeyRWJWNZKZNYSUCT-UHFFFAOYSA-N
XLogP3.79
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(3,5-difluorophenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868265
[3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868157
[5-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867266
[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 10932935
[3-(3,5-difluorophenyl)-5-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868050
[5-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868323
[3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867845
[3-(2,3-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867107
[3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868233
[5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867975
[5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol
CID 131866931
[3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868204

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-difluorophenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-(3,5-difluorophenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol (CID 131868139) is [5-(3,5-difluorophenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(3,5-difluorophenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-(3,5-difluorophenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol is COc1ccccc1-c1noc(-c2cc(F)cc(F)c2)c1CO.
What is the InChIKey of [5-(3,5-difluorophenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is RWJWNZKZNYSUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO3/c1-22-15-5-3-2-4-13(15)16-14(9-21)17(23-20-16)10-6-11(18)8-12(19)7-10/h2-8,21H,9H2,1H3.
What are the key properties of [5-(3,5-difluorophenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol?
[5-(3,5-difluorophenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 317.29 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-difluorophenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131868139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).