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

C17H14FNO3S — CID 67623760

IUPAC4-[5-(4-fluorophenyl)-2-methyl-4-methylsulfonylphenyl]-1,3-oxazole
SMILESCc1cc(S(C)(=O)=O)c(-c2ccc(F)cc2)cc1-c1cocn1
InChIInChI=1S/C17H14FNO3S/c1-11-7-17(23(2,20)21)15(12-3-5-13(18)6-4-12)8-14(11)16-9-22-10-19-16/h3-10H,1-2H3
InChIKeyCGEJTVYZOCKKLF-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.86
Rot. Bonds3

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

4-[5-(4-fluorophenyl)-2-methyl-4-methylsulfonylphenyl]-1,3-oxazole (PubChem CID 67623760) has the molecular formula C17H14FNO3S and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-methyl-4-methylsulfonylphenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-methyl-4-methylsulfonylphenyl]-1,3-oxazole
PubChem CID67623760
Molecular FormulaC17H14FNO3S
Molecular Weight331.37 g/mol
Exact Mass331.07
IUPAC Name4-[5-(4-fluorophenyl)-2-methyl-4-methylsulfonylphenyl]-1,3-oxazole
SMILESCc1cc(S(C)(=O)=O)c(-c2ccc(F)cc2)cc1-c1cocn1
InChIInChI=1S/C17H14FNO3S/c1-11-7-17(23(2,20)21)15(12-3-5-13(18)6-4-12)8-14(11)16-9-22-10-19-16/h3-10H,1-2H3
InChIKeyCGEJTVYZOCKKLF-UHFFFAOYSA-N
XLogP3.86
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-methyl-4-methylsulfonylphenyl]-1,3-oxazole?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-methyl-4-methylsulfonylphenyl]-1,3-oxazole (CID 67623760) is 4-[5-(4-fluorophenyl)-2-methyl-4-methylsulfonylphenyl]-1,3-oxazole.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-methyl-4-methylsulfonylphenyl]-1,3-oxazole?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-methyl-4-methylsulfonylphenyl]-1,3-oxazole is Cc1cc(S(C)(=O)=O)c(-c2ccc(F)cc2)cc1-c1cocn1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-methyl-4-methylsulfonylphenyl]-1,3-oxazole?
The InChIKey is CGEJTVYZOCKKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3S/c1-11-7-17(23(2,20)21)15(12-3-5-13(18)6-4-12)8-14(11)16-9-22-10-19-16/h3-10H,1-2H3.
What are the key properties of 4-[5-(4-fluorophenyl)-2-methyl-4-methylsulfonylphenyl]-1,3-oxazole?
4-[5-(4-fluorophenyl)-2-methyl-4-methylsulfonylphenyl]-1,3-oxazole has a molecular weight of 331.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-methyl-4-methylsulfonylphenyl]-1,3-oxazole is sourced from PubChem (CID 67623760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).