4-(4-fluorophenyl)-5-(4-methylphenyl)sulfonyl-1,3-oxazole

C16H12FNO3S — CID 138972807

IUPAC4-(4-fluorophenyl)-5-(4-methylphenyl)sulfonyl-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)c2ocnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H12FNO3S/c1-11-2-8-14(9-3-11)22(19,20)16-15(18-10-21-16)12-4-6-13(17)7-5-12/h2-10H,1H3
InChIKeyHUOJNRZWSPQNIJ-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.62
Rot. Bonds3

About 4-(4-fluorophenyl)-5-(4-methylphenyl)sulfonyl-1,3-oxazole

4-(4-fluorophenyl)-5-(4-methylphenyl)sulfonyl-1,3-oxazole (PubChem CID 138972807) has the molecular formula C16H12FNO3S and a molecular weight of 317.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(4-methylphenyl)sulfonyl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(4-methylphenyl)sulfonyl-1,3-oxazole
PubChem CID138972807
Molecular FormulaC16H12FNO3S
Molecular Weight317.34 g/mol
Exact Mass317.05
IUPAC Name4-(4-fluorophenyl)-5-(4-methylphenyl)sulfonyl-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)c2ocnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H12FNO3S/c1-11-2-8-14(9-3-11)22(19,20)16-15(18-10-21-16)12-4-6-13(17)7-5-12/h2-10H,1H3
InChIKeyHUOJNRZWSPQNIJ-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenyl)-5-(4-methylphenyl)sulfonyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-oxazole
CID 17876325
5-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-oxazole
CID 17876403
4-(4-Fluorophenyl)-5-[3-(4-methylsulfonylphenyl)-2-phenylpropyl]-1,3-oxazole
CID 57028558
4-[5-(4-Fluorophenyl)-4-methylsulfonyl-2-phenylphenyl]-1,3-oxazole
CID 67623752
4-[5-(4-Fluorophenyl)-2-methyl-4-methylsulfonylphenyl]-1,3-oxazole
CID 67623760
5-(4-Fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-oxazole
CID 67805245
2-Tert-butyl-4-[2-(4-fluorophenyl)-5-methylsulfonylphenyl]-1,3-oxazole
CID 69329046
4-Fluoro-3-(oxazol-4-yl)benzene-1-sulfonyl chloride
CID 86642048
2-Fluoro-4-(3-hydroxy-1,3-oxazol-3-ium-4-yl)benzenesulfonamide
CID 91271079
5-Ethyl-4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole
CID 176859168
4-(5-Fluoro-2-methylsulfonylphenyl)-1,3-oxazole
CID 176859698
5-(4-Methylphenyl)sulfonyl-4-(3-nitrophenyl)-1,3-oxazole
CID 138972647

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(4-methylphenyl)sulfonyl-1,3-oxazole?
The IUPAC name of 4-(4-fluorophenyl)-5-(4-methylphenyl)sulfonyl-1,3-oxazole (CID 138972807) is 4-(4-fluorophenyl)-5-(4-methylphenyl)sulfonyl-1,3-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(4-methylphenyl)sulfonyl-1,3-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-(4-methylphenyl)sulfonyl-1,3-oxazole is Cc1ccc(S(=O)(=O)c2ocnc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(4-methylphenyl)sulfonyl-1,3-oxazole?
The InChIKey is HUOJNRZWSPQNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3S/c1-11-2-8-14(9-3-11)22(19,20)16-15(18-10-21-16)12-4-6-13(17)7-5-12/h2-10H,1H3.
What are the key properties of 4-(4-fluorophenyl)-5-(4-methylphenyl)sulfonyl-1,3-oxazole?
4-(4-fluorophenyl)-5-(4-methylphenyl)sulfonyl-1,3-oxazole has a molecular weight of 317.34 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(4-methylphenyl)sulfonyl-1,3-oxazole is sourced from PubChem (CID 138972807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).