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

C22H24N2O3S — CID 18824804

IUPAC4-(benzenesulfonyl)-2-(3-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
SMILESCc1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCC(C)CC3)o2)c1
InChIInChI=1S/C22H24N2O3S/c1-16-11-13-24(14-12-16)22-21(28(25,26)19-9-4-3-5-10-19)23-20(27-22)18-8-6-7-17(2)15-18/h3-10,15-16H,11-14H2,1-2H3
InChIKeyDPHDKFRJRWMULM-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.72
Rot. Bonds4

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

4-(benzenesulfonyl)-2-(3-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole (PubChem CID 18824804) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(3-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(3-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
PubChem CID18824804
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name4-(benzenesulfonyl)-2-(3-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
SMILESCc1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCC(C)CC3)o2)c1
InChIInChI=1S/C22H24N2O3S/c1-16-11-13-24(14-12-16)22-21(28(25,26)19-9-4-3-5-10-19)23-20(27-22)18-8-6-7-17(2)15-18/h3-10,15-16H,11-14H2,1-2H3
InChIKeyDPHDKFRJRWMULM-UHFFFAOYSA-N
XLogP4.72
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(3-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The IUPAC name of 4-(benzenesulfonyl)-2-(3-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole (CID 18824804) is 4-(benzenesulfonyl)-2-(3-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(3-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The canonical SMILES for 4-(benzenesulfonyl)-2-(3-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole is Cc1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCC(C)CC3)o2)c1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(3-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The InChIKey is DPHDKFRJRWMULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-16-11-13-24(14-12-16)22-21(28(25,26)19-9-4-3-5-10-19)23-20(27-22)18-8-6-7-17(2)15-18/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 4-(benzenesulfonyl)-2-(3-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
4-(benzenesulfonyl)-2-(3-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole has a molecular weight of 396.51 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(3-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole is sourced from PubChem (CID 18824804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).