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

C22H23NO3S — CID 22624559

IUPAC4-cyclohexyl-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(-c2oc(-c3ccccc3)nc2C2CCCCC2)cc1
InChIInChI=1S/C22H23NO3S/c1-27(24,25)19-14-12-17(13-15-19)21-20(16-8-4-2-5-9-16)23-22(26-21)18-10-6-3-7-11-18/h3,6-7,10-16H,2,4-5,8-9H2,1H3
InChIKeyANSXNTQYBXUXQJ-UHFFFAOYSA-N
MW381.50 g/mol
LogP5.46
Rot. Bonds4

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

4-cyclohexyl-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole (PubChem CID 22624559) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is 4-cyclohexyl-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-cyclohexyl-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole
PubChem CID22624559
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC Name4-cyclohexyl-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(-c2oc(-c3ccccc3)nc2C2CCCCC2)cc1
InChIInChI=1S/C22H23NO3S/c1-27(24,25)19-14-12-17(13-15-19)21-20(16-8-4-2-5-9-16)23-22(26-21)18-10-6-3-7-11-18/h3,6-7,10-16H,2,4-5,8-9H2,1H3
InChIKeyANSXNTQYBXUXQJ-UHFFFAOYSA-N
XLogP5.46
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole?
The IUPAC name of 4-cyclohexyl-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole (CID 22624559) is 4-cyclohexyl-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-cyclohexyl-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-cyclohexyl-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole is CS(=O)(=O)c1ccc(-c2oc(-c3ccccc3)nc2C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole?
The InChIKey is ANSXNTQYBXUXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S/c1-27(24,25)19-14-12-17(13-15-19)21-20(16-8-4-2-5-9-16)23-22(26-21)18-10-6-3-7-11-18/h3,6-7,10-16H,2,4-5,8-9H2,1H3.
What are the key properties of 4-cyclohexyl-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole?
4-cyclohexyl-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole has a molecular weight of 381.50 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-(4-methylsulfonylphenyl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 22624559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).