3-(4-bromo-3-methylphenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol

C16H15BrFNO2S — CID 22316934

IUPAC3-(4-bromo-3-methylphenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol
SMILESCc1cc(C2=NOC(C)(O)C2c2scc(C)c2F)ccc1Br
InChIInChI=1S/C16H15BrFNO2S/c1-8-6-10(4-5-11(8)17)14-12(16(3,20)21-19-14)15-13(18)9(2)7-22-15/h4-7,12,20H,1-3H3
InChIKeyCMXQSVFMDIGENL-UHFFFAOYSA-N
MW384.27 g/mol
LogP4.49
Rot. Bonds2

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

3-(4-bromo-3-methylphenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol (PubChem CID 22316934) has the molecular formula C16H15BrFNO2S and a molecular weight of 384.27 g/mol. Its IUPAC name is 3-(4-bromo-3-methylphenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(4-bromo-3-methylphenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol
PubChem CID22316934
Molecular FormulaC16H15BrFNO2S
Molecular Weight384.27 g/mol
Exact Mass383.00
IUPAC Name3-(4-bromo-3-methylphenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol
SMILESCc1cc(C2=NOC(C)(O)C2c2scc(C)c2F)ccc1Br
InChIInChI=1S/C16H15BrFNO2S/c1-8-6-10(4-5-11(8)17)14-12(16(3,20)21-19-14)15-13(18)9(2)7-22-15/h4-7,12,20H,1-3H3
InChIKeyCMXQSVFMDIGENL-UHFFFAOYSA-N
XLogP4.49
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylphenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(4-bromo-3-methylphenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol (CID 22316934) is 3-(4-bromo-3-methylphenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(4-bromo-3-methylphenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(4-bromo-3-methylphenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol is Cc1cc(C2=NOC(C)(O)C2c2scc(C)c2F)ccc1Br.
What is the InChIKey of 3-(4-bromo-3-methylphenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol?
The InChIKey is CMXQSVFMDIGENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2S/c1-8-6-10(4-5-11(8)17)14-12(16(3,20)21-19-14)15-13(18)9(2)7-22-15/h4-7,12,20H,1-3H3.
What are the key properties of 3-(4-bromo-3-methylphenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol?
3-(4-bromo-3-methylphenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol has a molecular weight of 384.27 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylphenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 22316934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).