[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]boronic acid

C11H11BFNO3 — CID 140959618

IUPAC[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]boronic acid
SMILESCc1noc(C)c1-c1ccc(B(O)O)c(F)c1
InChIInChI=1S/C11H11BFNO3/c1-6-11(7(2)17-14-6)8-3-4-9(12(15)16)10(13)5-8/h3-5,15-16H,1-2H3
InChIKeyXSSDPBBOUWLEES-UHFFFAOYSA-N
MW235.02 g/mol
LogP0.78
Rot. Bonds2

About [4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]boronic acid

[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]boronic acid (PubChem CID 140959618) has the molecular formula C11H11BFNO3 and a molecular weight of 235.02 g/mol. Its IUPAC name is [4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]boronic acid.

Molecular Properties

Compound Name[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]boronic acid
PubChem CID140959618
Molecular FormulaC11H11BFNO3
Molecular Weight235.02 g/mol
Exact Mass235.08
IUPAC Name[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]boronic acid
SMILESCc1noc(C)c1-c1ccc(B(O)O)c(F)c1
InChIInChI=1S/C11H11BFNO3/c1-6-11(7(2)17-14-6)8-3-4-9(12(15)16)10(13)5-8/h3-5,15-16H,1-2H3
InChIKeyXSSDPBBOUWLEES-UHFFFAOYSA-N
XLogP0.78
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.02
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol
CID 138961435
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794
2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 53225038
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
4-[4-(4,5-dimethylidene-1,3,2-dioxaborolan-2-yl)-3,5-difluorophenyl]-3,5-dimethyl-1,2-oxazole
CID 88878447
4-[3,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethyl-1,2-oxazole
CID 70655136
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol
CID 53220724
7-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalen-1-ol
CID 155969514
4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenol
CID 53219249
4-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 82476085

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]boronic acid?
The IUPAC name of [4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]boronic acid (CID 140959618) is [4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]boronic acid.
What is the SMILES notation for [4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]boronic acid?
The canonical SMILES for [4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]boronic acid is Cc1noc(C)c1-c1ccc(B(O)O)c(F)c1.
What is the InChIKey of [4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]boronic acid?
The InChIKey is XSSDPBBOUWLEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BFNO3/c1-6-11(7(2)17-14-6)8-3-4-9(12(15)16)10(13)5-8/h3-5,15-16H,1-2H3.
What are the key properties of [4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]boronic acid?
[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]boronic acid has a molecular weight of 235.02 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]boronic acid is sourced from PubChem (CID 140959618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).