4-(4-chlorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole

C22H23ClN2O3S — CID 18824802

IUPAC4-(4-chlorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
SMILESCc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCC(C)CC2)o1
InChIInChI=1S/C22H23ClN2O3S/c1-15-11-13-25(14-12-15)22-21(29(26,27)18-9-7-17(23)8-10-18)24-20(28-22)19-6-4-3-5-16(19)2/h3-10,15H,11-14H2,1-2H3
InChIKeyWCXTWYQXWXQUJP-UHFFFAOYSA-N
MW430.96 g/mol
LogP5.37
Rot. Bonds4

About 4-(4-chlorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole

4-(4-chlorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole (PubChem CID 18824802) has the molecular formula C22H23ClN2O3S and a molecular weight of 430.96 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
PubChem CID18824802
Molecular FormulaC22H23ClN2O3S
Molecular Weight430.96 g/mol
Exact Mass430.11
IUPAC Name4-(4-chlorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
SMILESCc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCC(C)CC2)o1
InChIInChI=1S/C22H23ClN2O3S/c1-15-11-13-25(14-12-15)22-21(29(26,27)18-9-7-17(23)8-10-18)24-20(28-22)19-6-4-3-5-16(19)2/h3-10,15H,11-14H2,1-2H3
InChIKeyWCXTWYQXWXQUJP-UHFFFAOYSA-N
XLogP5.37
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.96
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole (CID 18824802) is 4-(4-chlorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole is Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCC(C)CC2)o1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The InChIKey is WCXTWYQXWXQUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3S/c1-15-11-13-25(14-12-15)22-21(29(26,27)18-9-7-17(23)8-10-18)24-20(28-22)19-6-4-3-5-16(19)2/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
4-(4-chlorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole has a molecular weight of 430.96 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole is sourced from PubChem (CID 18824802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).