5-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-4-pyridin-4-yl-1,3-oxazole

C21H15FN2O2S — CID 118296097

IUPAC5-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-4-pyridin-4-yl-1,3-oxazole
SMILESCS(=O)c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C21H15FN2O2S/c1-27(25)18-8-4-16(5-9-18)21-24-19(14-10-12-23-13-11-14)20(26-21)15-2-6-17(22)7-3-15/h2-13H,1H3
InChIKeyDXFXGBLCDDSKKP-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.95
Rot. Bonds4

About 5-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-4-pyridin-4-yl-1,3-oxazole

5-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-4-pyridin-4-yl-1,3-oxazole (PubChem CID 118296097) has the molecular formula C21H15FN2O2S and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-4-pyridin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-4-pyridin-4-yl-1,3-oxazole
PubChem CID118296097
Molecular FormulaC21H15FN2O2S
Molecular Weight378.43 g/mol
Exact Mass378.08
IUPAC Name5-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-4-pyridin-4-yl-1,3-oxazole
SMILESCS(=O)c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C21H15FN2O2S/c1-27(25)18-8-4-16(5-9-18)21-24-19(14-10-12-23-13-11-14)20(26-21)15-2-6-17(22)7-3-15/h2-13H,1H3
InChIKeyDXFXGBLCDDSKKP-UHFFFAOYSA-N
XLogP4.95
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-4-pyridin-4-yl-1,3-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-4-pyridin-4-yl-1,3-oxazole (CID 118296097) is 5-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-4-pyridin-4-yl-1,3-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-4-pyridin-4-yl-1,3-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-4-pyridin-4-yl-1,3-oxazole is CS(=O)c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-4-pyridin-4-yl-1,3-oxazole?
The InChIKey is DXFXGBLCDDSKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2S/c1-27(25)18-8-4-16(5-9-18)21-24-19(14-10-12-23-13-11-14)20(26-21)15-2-6-17(22)7-3-15/h2-13H,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-4-pyridin-4-yl-1,3-oxazole?
5-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-4-pyridin-4-yl-1,3-oxazole has a molecular weight of 378.43 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-4-pyridin-4-yl-1,3-oxazole is sourced from PubChem (CID 118296097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).