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

C14H10FN3O3S — CID 90223933

IUPAC2-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-5-yl)-1,3-oxazole
SMILESCS(=O)(=O)c1ncc(-c2coc(-c3ccc(F)cc3)n2)cn1
InChIInChI=1S/C14H10FN3O3S/c1-22(19,20)14-16-6-10(7-17-14)12-8-21-13(18-12)9-2-4-11(15)5-3-9/h2-8H,1H3
InChIKeyGUBGDQWZADSTGG-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.34
Rot. Bonds3

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

2-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-5-yl)-1,3-oxazole (PubChem CID 90223933) has the molecular formula C14H10FN3O3S and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-5-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-5-yl)-1,3-oxazole
PubChem CID90223933
Molecular FormulaC14H10FN3O3S
Molecular Weight319.32 g/mol
Exact Mass319.04
IUPAC Name2-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-5-yl)-1,3-oxazole
SMILESCS(=O)(=O)c1ncc(-c2coc(-c3ccc(F)cc3)n2)cn1
InChIInChI=1S/C14H10FN3O3S/c1-22(19,20)14-16-6-10(7-17-14)12-8-21-13(18-12)9-2-4-11(15)5-3-9/h2-8H,1H3
InChIKeyGUBGDQWZADSTGG-UHFFFAOYSA-N
XLogP2.34
TPSA85.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-5-yl)-1,3-oxazole?
The IUPAC name of 2-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-5-yl)-1,3-oxazole (CID 90223933) is 2-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-5-yl)-1,3-oxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-5-yl)-1,3-oxazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-5-yl)-1,3-oxazole is CS(=O)(=O)c1ncc(-c2coc(-c3ccc(F)cc3)n2)cn1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-5-yl)-1,3-oxazole?
The InChIKey is GUBGDQWZADSTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3S/c1-22(19,20)14-16-6-10(7-17-14)12-8-21-13(18-12)9-2-4-11(15)5-3-9/h2-8H,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-5-yl)-1,3-oxazole?
2-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-5-yl)-1,3-oxazole has a molecular weight of 319.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-5-yl)-1,3-oxazole is sourced from PubChem (CID 90223933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).