4-[5-(4-fluorophenyl)-4-methylsulfonyl-2-phenylphenyl]-1,3-oxazole

C22H16FNO3S — CID 67623752

IUPAC4-[5-(4-fluorophenyl)-4-methylsulfonyl-2-phenylphenyl]-1,3-oxazole
SMILESCS(=O)(=O)c1cc(-c2ccccc2)c(-c2cocn2)cc1-c1ccc(F)cc1
InChIInChI=1S/C22H16FNO3S/c1-28(25,26)22-12-18(15-5-3-2-4-6-15)20(21-13-27-14-24-21)11-19(22)16-7-9-17(23)10-8-16/h2-14H,1H3
InChIKeyKYJZTANBDXWXJS-UHFFFAOYSA-N
MW393.44 g/mol
LogP5.22
Rot. Bonds4

About 4-[5-(4-fluorophenyl)-4-methylsulfonyl-2-phenylphenyl]-1,3-oxazole

4-[5-(4-fluorophenyl)-4-methylsulfonyl-2-phenylphenyl]-1,3-oxazole (PubChem CID 67623752) has the molecular formula C22H16FNO3S and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-4-methylsulfonyl-2-phenylphenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-4-methylsulfonyl-2-phenylphenyl]-1,3-oxazole
PubChem CID67623752
Molecular FormulaC22H16FNO3S
Molecular Weight393.44 g/mol
Exact Mass393.08
IUPAC Name4-[5-(4-fluorophenyl)-4-methylsulfonyl-2-phenylphenyl]-1,3-oxazole
SMILESCS(=O)(=O)c1cc(-c2ccccc2)c(-c2cocn2)cc1-c1ccc(F)cc1
InChIInChI=1S/C22H16FNO3S/c1-28(25,26)22-12-18(15-5-3-2-4-6-15)20(21-13-27-14-24-21)11-19(22)16-7-9-17(23)10-8-16/h2-14H,1H3
InChIKeyKYJZTANBDXWXJS-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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-4-methylsulfonyl-2-phenylphenyl]-1,3-oxazole?
The IUPAC name of 4-[5-(4-fluorophenyl)-4-methylsulfonyl-2-phenylphenyl]-1,3-oxazole (CID 67623752) is 4-[5-(4-fluorophenyl)-4-methylsulfonyl-2-phenylphenyl]-1,3-oxazole.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-4-methylsulfonyl-2-phenylphenyl]-1,3-oxazole?
The canonical SMILES for 4-[5-(4-fluorophenyl)-4-methylsulfonyl-2-phenylphenyl]-1,3-oxazole is CS(=O)(=O)c1cc(-c2ccccc2)c(-c2cocn2)cc1-c1ccc(F)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-4-methylsulfonyl-2-phenylphenyl]-1,3-oxazole?
The InChIKey is KYJZTANBDXWXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO3S/c1-28(25,26)22-12-18(15-5-3-2-4-6-15)20(21-13-27-14-24-21)11-19(22)16-7-9-17(23)10-8-16/h2-14H,1H3.
What are the key properties of 4-[5-(4-fluorophenyl)-4-methylsulfonyl-2-phenylphenyl]-1,3-oxazole?
4-[5-(4-fluorophenyl)-4-methylsulfonyl-2-phenylphenyl]-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-[5-(4-fluorophenyl)-4-methylsulfonyl-2-phenylphenyl]-1,3-oxazole is sourced from PubChem (CID 67623752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).