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

C22H16FNO3S — CID 10271885

IUPAC4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(-c2oc(-c3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H16FNO3S/c1-28(25,26)19-13-9-16(10-14-19)21-20(15-7-11-18(23)12-8-15)24-22(27-21)17-5-3-2-4-6-17/h2-14H,1H3
InChIKeyQDPWDPOAKFQYJR-UHFFFAOYSA-N
MW393.44 g/mol
LogP5.22
Rot. Bonds4

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

4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole (PubChem CID 10271885) has the molecular formula C22H16FNO3S and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole
PubChem CID10271885
Molecular FormulaC22H16FNO3S
Molecular Weight393.44 g/mol
Exact Mass393.08
IUPAC Name4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(-c2oc(-c3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H16FNO3S/c1-28(25,26)19-13-9-16(10-14-19)21-20(15-7-11-18(23)12-8-15)24-22(27-21)17-5-3-2-4-6-17/h2-14H,1H3
InChIKeyQDPWDPOAKFQYJR-UHFFFAOYSA-N
XLogP5.22
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-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

Tilmacoxib
CID 159271
Oxazole, 2-methyl-4,5-diphenyl-
CID 139703
Benzamide, 3-(((1S)-2-(4,5-diphenyl-2-oxazolyl)-2-cyclohexen-1-yl)methyl)-N-((phenylmethyl)sulfonyl)-
CID 9894720
1-(4,5-Diphenyl-oxazol-2-ylsulfanyl)-propan-2-one
CID 700702
2-{[2-(4-Ethylphenyl)-5-methyl-1,3-oxazol-4-YL]methanesulfinyl}-N-[(4-fluorophenyl)methyl]acetamide
CID 3331006
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]ethanone
CID 5307829
N-(2,5-difluorophenyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide
CID 5307965
1-(Azepan-1-YL)-2-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-YL]methanesulfonyl}ethan-1-one
CID 5308900
2-{[2-(2-Fluorophenyl)-5-methyl-1,3-oxazol-4-YL]methanesulfonyl}-1-(4-phenylpiperazin-1-YL)ethan-1-one
CID 9550474
4-Cyclohexyl-5-(4-methanesulfonyl-phenyl)-2-methyl-oxazole
CID 9861854
Benzenesulfonamide,4-(4-cyclohexyl-2-methyl-5-oxazolyl)-
CID 9861888
4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-methyl-oxazole
CID 9967345

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole?
The IUPAC name of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole (CID 10271885) is 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole is CS(=O)(=O)c1ccc(-c2oc(-c3ccccc3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole?
The InChIKey is QDPWDPOAKFQYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO3S/c1-28(25,26)19-13-9-16(10-14-19)21-20(15-7-11-18(23)12-8-15)24-22(27-21)17-5-3-2-4-6-17/h2-14H,1H3.
What are the key properties of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole?
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole has a molecular weight of 393.44 g/mol, XLogP of 5.22, 4 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-methylsulfonylphenyl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 10271885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).