2-(4-methoxyphenyl)-5-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile

C20H24N4O5S — CID 154811217

IUPAC2-(4-methoxyphenyl)-5-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(-c2nc(C#N)c(N3CCC(S(=O)(=O)N4CCOCC4)CC3)o2)cc1
InChIInChI=1S/C20H24N4O5S/c1-27-16-4-2-15(3-5-16)19-22-18(14-21)20(29-19)23-8-6-17(7-9-23)30(25,26)24-10-12-28-13-11-24/h2-5,17H,6-13H2,1H3
InChIKeyDLLRAZGVCFUICR-UHFFFAOYSA-N
MW432.50 g/mol
LogP1.85
Rot. Bonds5

About 2-(4-methoxyphenyl)-5-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile

2-(4-methoxyphenyl)-5-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 154811217) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
PubChem CID154811217
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC Name2-(4-methoxyphenyl)-5-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(-c2nc(C#N)c(N3CCC(S(=O)(=O)N4CCOCC4)CC3)o2)cc1
InChIInChI=1S/C20H24N4O5S/c1-27-16-4-2-15(3-5-16)19-22-18(14-21)20(29-19)23-8-6-17(7-9-23)30(25,26)24-10-12-28-13-11-24/h2-5,17H,6-13H2,1H3
InChIKeyDLLRAZGVCFUICR-UHFFFAOYSA-N
XLogP1.85
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(4-methoxyphenyl)-5-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile (CID 154811217) is 2-(4-methoxyphenyl)-5-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile is COc1ccc(-c2nc(C#N)c(N3CCC(S(=O)(=O)N4CCOCC4)CC3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is DLLRAZGVCFUICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-27-16-4-2-15(3-5-16)19-22-18(14-21)20(29-19)23-8-6-17(7-9-23)30(25,26)24-10-12-28-13-11-24/h2-5,17H,6-13H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile?
2-(4-methoxyphenyl)-5-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 432.50 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 154811217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).