5-(4-fluorophenyl)-4-(4-methylsulfinylphenyl)-1,2-oxazole

C16H12FNO2S — CID 101110710

IUPAC5-(4-fluorophenyl)-4-(4-methylsulfinylphenyl)-1,2-oxazole
SMILESCS(=O)c1ccc(-c2cnoc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H12FNO2S/c1-21(19)14-8-4-11(5-9-14)15-10-18-20-16(15)12-2-6-13(17)7-3-12/h2-10H,1H3
InChIKeyMIDVTWZPXZLERP-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.89
Rot. Bonds3

About 5-(4-fluorophenyl)-4-(4-methylsulfinylphenyl)-1,2-oxazole

5-(4-fluorophenyl)-4-(4-methylsulfinylphenyl)-1,2-oxazole (PubChem CID 101110710) has the molecular formula C16H12FNO2S and a molecular weight of 301.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(4-methylsulfinylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(4-methylsulfinylphenyl)-1,2-oxazole
PubChem CID101110710
Molecular FormulaC16H12FNO2S
Molecular Weight301.34 g/mol
Exact Mass301.06
IUPAC Name5-(4-fluorophenyl)-4-(4-methylsulfinylphenyl)-1,2-oxazole
SMILESCS(=O)c1ccc(-c2cnoc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H12FNO2S/c1-21(19)14-8-4-11(5-9-14)15-10-18-20-16(15)12-2-6-13(17)7-3-12/h2-10H,1H3
InChIKeyMIDVTWZPXZLERP-UHFFFAOYSA-N
XLogP3.89
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(4-methylsulfinylphenyl)-1,2-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-4-(4-methylsulfinylphenyl)-1,2-oxazole (CID 101110710) is 5-(4-fluorophenyl)-4-(4-methylsulfinylphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(4-methylsulfinylphenyl)-1,2-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-(4-methylsulfinylphenyl)-1,2-oxazole is CS(=O)c1ccc(-c2cnoc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(4-methylsulfinylphenyl)-1,2-oxazole?
The InChIKey is MIDVTWZPXZLERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2S/c1-21(19)14-8-4-11(5-9-14)15-10-18-20-16(15)12-2-6-13(17)7-3-12/h2-10H,1H3.
What are the key properties of 5-(4-fluorophenyl)-4-(4-methylsulfinylphenyl)-1,2-oxazole?
5-(4-fluorophenyl)-4-(4-methylsulfinylphenyl)-1,2-oxazole has a molecular weight of 301.34 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(4-methylsulfinylphenyl)-1,2-oxazole is sourced from PubChem (CID 101110710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).