2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole

C23H23ClN2O5S — CID 16650047

IUPAC2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
SMILESCC1CCN(c2oc(-c3cccc(Cl)c3)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C23H23ClN2O5S/c1-15-7-9-26(10-8-15)23-22(25-21(31-23)16-3-2-4-17(24)13-16)32(27,28)18-5-6-19-20(14-18)30-12-11-29-19/h2-6,13-15H,7-12H2,1H3
InChIKeyVSLNXTBLTVJVHG-UHFFFAOYSA-N
MW474.97 g/mol
LogP4.84
Rot. Bonds4

About 2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole

2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole (PubChem CID 16650047) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
PubChem CID16650047
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC Name2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
SMILESCC1CCN(c2oc(-c3cccc(Cl)c3)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C23H23ClN2O5S/c1-15-7-9-26(10-8-15)23-22(25-21(31-23)16-3-2-4-17(24)13-16)32(27,28)18-5-6-19-20(14-18)30-12-11-29-19/h2-6,13-15H,7-12H2,1H3
InChIKeyVSLNXTBLTVJVHG-UHFFFAOYSA-N
XLogP4.84
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-benzylpiperidin-1-yl)-2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazole
CID 16650058
2-(3-chlorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18890246
4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine
CID 16649988
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-methoxyphenyl)-5-(3-methylpiperidin-1-yl)-1,3-oxazole
CID 16650105
2-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-piperidin-1-yl-1,3-oxazole
CID 16649702
4-[2-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazol-5-yl]-2,6-dimethylmorpholine
CID 16649704
2-(2-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazole
CID 16650284
4-(benzenesulfonyl)-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole
CID 4290601
4-(benzenesulfonyl)-2-(3-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18824804
4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole
CID 18824785
1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 16649664
4-(4-bromophenyl)sulfonyl-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole
CID 18889915

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The IUPAC name of 2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole (CID 16650047) is 2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole.
What is the SMILES notation for 2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The canonical SMILES for 2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole is CC1CCN(c2oc(-c3cccc(Cl)c3)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The InChIKey is VSLNXTBLTVJVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c1-15-7-9-26(10-8-15)23-22(25-21(31-23)16-3-2-4-17(24)13-16)32(27,28)18-5-6-19-20(14-18)30-12-11-29-19/h2-6,13-15H,7-12H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole has a molecular weight of 474.97 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole is sourced from PubChem (CID 16650047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).