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

C22H18FNO3S — CID 91307285

IUPAC4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-2,5-dihydro-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(C2OC(c3ccccc3)N=C2c2ccc(F)cc2)cc1
InChIInChI=1S/C22H18FNO3S/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/h2-14,21-22H,1H3
InChIKeySRJKGCSMVXWXOT-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.49
Rot. Bonds4

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

4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-2,5-dihydro-1,3-oxazole (PubChem CID 91307285) has the molecular formula C22H18FNO3S and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-2,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-2,5-dihydro-1,3-oxazole
PubChem CID91307285
Molecular FormulaC22H18FNO3S
Molecular Weight395.46 g/mol
Exact Mass395.10
IUPAC Name4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-2,5-dihydro-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(C2OC(c3ccccc3)N=C2c2ccc(F)cc2)cc1
InChIInChI=1S/C22H18FNO3S/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/h2-14,21-22H,1H3
InChIKeySRJKGCSMVXWXOT-UHFFFAOYSA-N
XLogP4.49
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-fluoro-4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzene
CID 23370408
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 18324902
7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-3-phenylpyrazolo[5,1-b][1,3]oxazole
CID 11154703
(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
CID 24764030
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1-phenyl-4-(trifluoromethyl)pyrrole
CID 59125671
ethyl 2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-3-phenylpropanoate
CID 59992179
(2S)-2-(4-fluorophenyl)-3-phenyl-2H-azirine
CID 138980263
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)chromene-4-thione
CID 18324932
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 10157862
3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1,5-dihydro-1,2,4-triazole
CID 143044797
diphenyliodanium;4-fluorobenzenesulfonate
CID 22935103
5-(4-fluorophenyl)-2-methylsulfonyl-4-(4-methylsulfonylphenyl)-1,3-thiazole
CID 54150112

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-2,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-2,5-dihydro-1,3-oxazole (CID 91307285) is 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-2,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-2,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-2,5-dihydro-1,3-oxazole is CS(=O)(=O)c1ccc(C2OC(c3ccccc3)N=C2c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-2,5-dihydro-1,3-oxazole?
The InChIKey is SRJKGCSMVXWXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO3S/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/h2-14,21-22H,1H3.
What are the key properties of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-2,5-dihydro-1,3-oxazole?
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-phenyl-2,5-dihydro-1,3-oxazole has a molecular weight of 395.46 g/mol, XLogP of 4.49, 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-2,5-dihydro-1,3-oxazole is sourced from PubChem (CID 91307285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).