3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol

C17H15BrFNO2 — CID 22316623

IUPAC3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol
SMILESCc1cc(C2=NOC(C)(O)C2c2cccc(F)c2)ccc1Br
InChIInChI=1S/C17H15BrFNO2/c1-10-8-12(6-7-14(10)18)16-15(17(2,21)22-20-16)11-4-3-5-13(19)9-11/h3-9,15,21H,1-2H3
InChIKeyFGXWQAIPZOLLJY-UHFFFAOYSA-N
MW364.21 g/mol
LogP4.12
Rot. Bonds2

About 3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol

3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol (PubChem CID 22316623) has the molecular formula C17H15BrFNO2 and a molecular weight of 364.21 g/mol. Its IUPAC name is 3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol
PubChem CID22316623
Molecular FormulaC17H15BrFNO2
Molecular Weight364.21 g/mol
Exact Mass363.03
IUPAC Name3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol
SMILESCc1cc(C2=NOC(C)(O)C2c2cccc(F)c2)ccc1Br
InChIInChI=1S/C17H15BrFNO2/c1-10-8-12(6-7-14(10)18)16-15(17(2,21)22-20-16)11-4-3-5-13(19)9-11/h3-9,15,21H,1-2H3
InChIKeyFGXWQAIPZOLLJY-UHFFFAOYSA-N
XLogP4.12
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol (CID 22316623) is 3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol is Cc1cc(C2=NOC(C)(O)C2c2cccc(F)c2)ccc1Br.
What is the InChIKey of 3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol?
The InChIKey is FGXWQAIPZOLLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO2/c1-10-8-12(6-7-14(10)18)16-15(17(2,21)22-20-16)11-4-3-5-13(19)9-11/h3-9,15,21H,1-2H3.
What are the key properties of 3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol?
3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol has a molecular weight of 364.21 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 22316623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).