5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-oxazole

C16H12FNO3S — CID 67805245

IUPAC5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-oxazole
SMILESCS(=O)(=O)c1ccccc1-c1ncoc1-c1ccc(F)cc1
InChIInChI=1S/C16H12FNO3S/c1-22(19,20)14-5-3-2-4-13(14)15-16(21-10-18-15)11-6-8-12(17)9-7-11/h2-10H,1H3
InChIKeyMMCBWYXGNOCMKT-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.55
Rot. Bonds3

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

5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-oxazole (PubChem CID 67805245) has the molecular formula C16H12FNO3S and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-oxazole
PubChem CID67805245
Molecular FormulaC16H12FNO3S
Molecular Weight317.34 g/mol
Exact Mass317.05
IUPAC Name5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-oxazole
SMILESCS(=O)(=O)c1ccccc1-c1ncoc1-c1ccc(F)cc1
InChIInChI=1S/C16H12FNO3S/c1-22(19,20)14-5-3-2-4-13(14)15-16(21-10-18-15)11-6-8-12(17)9-7-11/h2-10H,1H3
InChIKeyMMCBWYXGNOCMKT-UHFFFAOYSA-N
XLogP3.55
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-oxazole (CID 67805245) is 5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-oxazole is CS(=O)(=O)c1ccccc1-c1ncoc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-oxazole?
The InChIKey is MMCBWYXGNOCMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3S/c1-22(19,20)14-5-3-2-4-13(14)15-16(21-10-18-15)11-6-8-12(17)9-7-11/h2-10H,1H3.
What are the key properties of 5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-oxazole?
5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-oxazole has a molecular weight of 317.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-oxazole is sourced from PubChem (CID 67805245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).