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

C17H14FNO3S — CID 22277772

IUPAC4-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole
SMILESCc1onc(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C17H14FNO3S/c1-11-16(12-3-7-14(18)8-4-12)17(19-22-11)13-5-9-15(10-6-13)23(2,20)21/h3-10H,1-2H3
InChIKeyHFJCYKKLZCGTAQ-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.86
Rot. Bonds3

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

4-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole (PubChem CID 22277772) has the molecular formula C17H14FNO3S and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole
PubChem CID22277772
Molecular FormulaC17H14FNO3S
Molecular Weight331.37 g/mol
Exact Mass331.07
IUPAC Name4-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole
SMILESCc1onc(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C17H14FNO3S/c1-11-16(12-3-7-14(18)8-4-12)17(19-22-11)13-5-9-15(10-6-13)23(2,20)21/h3-10H,1-2H3
InChIKeyHFJCYKKLZCGTAQ-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

Analyze 4-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-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

Valdecoxib
CID 119607
Parecoxib
CID 119828
Parecoxib Sodium
CID 15895902
3-(4-Methylsulfonylphenyl)-4-phenyl-5-trifluoromethylisoxazole
CID 10429020
5-Methyl-3,4-diphenyl-isoxazole
CID 9991673
3,4-Diphenyl-5-ethylisoxazole
CID 10377376
3-[2-(Tert-butylsulfonyl)phenyl]-5-phenyl-4-isoxazolecarboxamide
CID 1040629
3,5-Dimethyl-4-[(4-methylphenyl)sulfonyl-phenylmethyl]-1,2-oxazole
CID 4460128
3-Phenyl-5-[(phenylsulfonyl)methyl]isoxazole
CID 1479607
4-methyl-N-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]benzenesulfonamide
CID 2738171
2-Fluoro-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 9858791
N-hydroxi-4-(3-phenyl-5-methyl-isoxazole-4-yl)-benzenesulfonamide monohydrate
CID 11198845

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole?
The IUPAC name of 4-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole (CID 22277772) is 4-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole is Cc1onc(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole?
The InChIKey is HFJCYKKLZCGTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3S/c1-11-16(12-3-7-14(18)8-4-12)17(19-22-11)13-5-9-15(10-6-13)23(2,20)21/h3-10H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole?
4-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-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-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-1,2-oxazole is sourced from PubChem (CID 22277772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).