2-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-phenyl-1,3-oxazole

C22H24N2O3S — CID 19258827

IUPAC2-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-phenyl-1,3-oxazole
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(-c2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H24N2O3S/c1-16-7-6-8-17(2)24(16)28(25,26)20-13-11-19(12-14-20)22-23-15-21(27-22)18-9-4-3-5-10-18/h3-5,9-17H,6-8H2,1-2H3
InChIKeyCLUDOPPCEALHOM-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.96
Rot. Bonds4

About 2-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-phenyl-1,3-oxazole

2-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-phenyl-1,3-oxazole (PubChem CID 19258827) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-phenyl-1,3-oxazole
PubChem CID19258827
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name2-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-phenyl-1,3-oxazole
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(-c2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H24N2O3S/c1-16-7-6-8-17(2)24(16)28(25,26)20-13-11-19(12-14-20)22-23-15-21(27-22)18-9-4-3-5-10-18/h3-5,9-17H,6-8H2,1-2H3
InChIKeyCLUDOPPCEALHOM-UHFFFAOYSA-N
XLogP4.96
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-phenyl-1,3-oxazole (CID 19258827) is 2-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-phenyl-1,3-oxazole is CC1CCCC(C)N1S(=O)(=O)c1ccc(-c2ncc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-phenyl-1,3-oxazole?
The InChIKey is CLUDOPPCEALHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-16-7-6-8-17(2)24(16)28(25,26)20-13-11-19(12-14-20)22-23-15-21(27-22)18-9-4-3-5-10-18/h3-5,9-17H,6-8H2,1-2H3.
What are the key properties of 2-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-phenyl-1,3-oxazole?
2-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-phenyl-1,3-oxazole has a molecular weight of 396.51 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 19258827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).