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

C22H22FNO3S — CID 15463766

IUPAC2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(-c2oc(C3CCCCC3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FNO3S/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/h7-14,17H,2-6H2,1H3
InChIKeyUXSDCURADWOYDZ-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.60
Rot. Bonds4

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

2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole (PubChem CID 15463766) has the molecular formula C22H22FNO3S and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
PubChem CID15463766
Molecular FormulaC22H22FNO3S
Molecular Weight399.49 g/mol
Exact Mass399.13
IUPAC Name2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(-c2oc(C3CCCCC3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FNO3S/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/h7-14,17H,2-6H2,1H3
InChIKeyUXSDCURADWOYDZ-UHFFFAOYSA-N
XLogP5.60
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole?
The IUPAC name of 2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole (CID 15463766) is 2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole?
The canonical SMILES for 2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole is CS(=O)(=O)c1ccc(-c2oc(C3CCCCC3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole?
The InChIKey is UXSDCURADWOYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3S/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/h7-14,17H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole?
2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole has a molecular weight of 399.49 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole is sourced from PubChem (CID 15463766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).