3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-1,2-oxazole

C17H13BrFNO — CID 22316600

IUPAC3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-1,2-oxazole
SMILESCc1cc(-c2noc(C)c2-c2cccc(F)c2)ccc1Br
InChIInChI=1S/C17H13BrFNO/c1-10-8-13(6-7-15(10)18)17-16(11(2)21-20-17)12-4-3-5-14(19)9-12/h3-9H,1-2H3
InChIKeyGLZUSKCPJVLUAR-UHFFFAOYSA-N
MW346.20 g/mol
LogP5.53
Rot. Bonds2

About 3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-1,2-oxazole

3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-1,2-oxazole (PubChem CID 22316600) has the molecular formula C17H13BrFNO and a molecular weight of 346.20 g/mol. Its IUPAC name is 3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-1,2-oxazole
PubChem CID22316600
Molecular FormulaC17H13BrFNO
Molecular Weight346.20 g/mol
Exact Mass345.02
IUPAC Name3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-1,2-oxazole
SMILESCc1cc(-c2noc(C)c2-c2cccc(F)c2)ccc1Br
InChIInChI=1S/C17H13BrFNO/c1-10-8-13(6-7-15(10)18)17-16(11(2)21-20-17)12-4-3-5-14(19)9-12/h3-9H,1-2H3
InChIKeyGLZUSKCPJVLUAR-UHFFFAOYSA-N
XLogP5.53
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.20
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-1,2-oxazole?
The IUPAC name of 3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-1,2-oxazole (CID 22316600) is 3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-1,2-oxazole is Cc1cc(-c2noc(C)c2-c2cccc(F)c2)ccc1Br.
What is the InChIKey of 3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-1,2-oxazole?
The InChIKey is GLZUSKCPJVLUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNO/c1-10-8-13(6-7-15(10)18)17-16(11(2)21-20-17)12-4-3-5-14(19)9-12/h3-9H,1-2H3.
What are the key properties of 3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-1,2-oxazole?
3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-1,2-oxazole has a molecular weight of 346.20 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 22316600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).