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

C22H16ClNO3S — CID 173207485

IUPAC5-(4-chlorophenyl)-4-(2-methylsulfonylphenyl)-2-phenyl-1,3-oxazole
SMILESCS(=O)(=O)c1ccccc1-c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClNO3S/c1-28(25,26)19-10-6-5-9-18(19)20-21(15-11-13-17(23)14-12-15)27-22(24-20)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyQABOUMXOTYHHJK-UHFFFAOYSA-N
MW409.89 g/mol
LogP5.73
Rot. Bonds4

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

5-(4-chlorophenyl)-4-(2-methylsulfonylphenyl)-2-phenyl-1,3-oxazole (PubChem CID 173207485) has the molecular formula C22H16ClNO3S and a molecular weight of 409.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(2-methylsulfonylphenyl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(2-methylsulfonylphenyl)-2-phenyl-1,3-oxazole
PubChem CID173207485
Molecular FormulaC22H16ClNO3S
Molecular Weight409.89 g/mol
Exact Mass409.05
IUPAC Name5-(4-chlorophenyl)-4-(2-methylsulfonylphenyl)-2-phenyl-1,3-oxazole
SMILESCS(=O)(=O)c1ccccc1-c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClNO3S/c1-28(25,26)19-10-6-5-9-18(19)20-21(15-11-13-17(23)14-12-15)27-22(24-20)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyQABOUMXOTYHHJK-UHFFFAOYSA-N
XLogP5.73
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.89
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(2-methylsulfonylphenyl)-2-phenyl-1,3-oxazole?
The IUPAC name of 5-(4-chlorophenyl)-4-(2-methylsulfonylphenyl)-2-phenyl-1,3-oxazole (CID 173207485) is 5-(4-chlorophenyl)-4-(2-methylsulfonylphenyl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(2-methylsulfonylphenyl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-(4-chlorophenyl)-4-(2-methylsulfonylphenyl)-2-phenyl-1,3-oxazole is CS(=O)(=O)c1ccccc1-c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(2-methylsulfonylphenyl)-2-phenyl-1,3-oxazole?
The InChIKey is QABOUMXOTYHHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO3S/c1-28(25,26)19-10-6-5-9-18(19)20-21(15-11-13-17(23)14-12-15)27-22(24-20)16-7-3-2-4-8-16/h2-14H,1H3.
What are the key properties of 5-(4-chlorophenyl)-4-(2-methylsulfonylphenyl)-2-phenyl-1,3-oxazole?
5-(4-chlorophenyl)-4-(2-methylsulfonylphenyl)-2-phenyl-1,3-oxazole has a molecular weight of 409.89 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(2-methylsulfonylphenyl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 173207485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).