4-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,3-oxazole

C22H24N2O5S — CID 1154497

IUPAC4-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,3-oxazole
SMILESCOc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCCCC3)o2)cc1OC
InChIInChI=1S/C22H24N2O5S/c1-27-18-12-11-16(15-19(18)28-2)20-23-21(22(29-20)24-13-7-4-8-14-24)30(25,26)17-9-5-3-6-10-17/h3,5-6,9-12,15H,4,7-8,13-14H2,1-2H3
InChIKeyOPOAQDDBEOPBQM-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.18
Rot. Bonds6

About 4-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,3-oxazole

4-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,3-oxazole (PubChem CID 1154497) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,3-oxazole
PubChem CID1154497
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC Name4-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,3-oxazole
SMILESCOc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCCCC3)o2)cc1OC
InChIInChI=1S/C22H24N2O5S/c1-27-18-12-11-16(15-19(18)28-2)20-23-21(22(29-20)24-13-7-4-8-14-24)30(25,26)17-9-5-3-6-10-17/h3,5-6,9-12,15H,4,7-8,13-14H2,1-2H3
InChIKeyOPOAQDDBEOPBQM-UHFFFAOYSA-N
XLogP4.18
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,3-oxazole?
The IUPAC name of 4-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,3-oxazole (CID 1154497) is 4-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,3-oxazole.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,3-oxazole?
The canonical SMILES for 4-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,3-oxazole is COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCCCC3)o2)cc1OC.
What is the InChIKey of 4-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,3-oxazole?
The InChIKey is OPOAQDDBEOPBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-27-18-12-11-16(15-19(18)28-2)20-23-21(22(29-20)24-13-7-4-8-14-24)30(25,26)17-9-5-3-6-10-17/h3,5-6,9-12,15H,4,7-8,13-14H2,1-2H3.
What are the key properties of 4-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,3-oxazole?
4-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,3-oxazole has a molecular weight of 428.51 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,3-oxazole is sourced from PubChem (CID 1154497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).