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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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).