2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-one

C21H24N4O5S — CID 83275427

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H24N4O5S/c1-14-21(15(2)30-23-14)25-20(26)10-8-17(22-25)16-7-9-18(29-3)19(13-16)31(27,28)24-11-5-4-6-12-24/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyFPCOQCSMGJEOBU-UHFFFAOYSA-N
MW444.51 g/mol
LogP2.69
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-one

2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-one (PubChem CID 83275427) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-one
PubChem CID83275427
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H24N4O5S/c1-14-21(15(2)30-23-14)25-20(26)10-8-17(22-25)16-7-9-18(29-3)19(13-16)31(27,28)24-11-5-4-6-12-24/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyFPCOQCSMGJEOBU-UHFFFAOYSA-N
XLogP2.69
TPSA107.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-one?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-one (CID 83275427) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-one?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-one is COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-one?
The InChIKey is FPCOQCSMGJEOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-14-21(15(2)30-23-14)25-20(26)10-8-17(22-25)16-7-9-18(29-3)19(13-16)31(27,28)24-11-5-4-6-12-24/h7-10,13H,4-6,11-12H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-one?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-one has a molecular weight of 444.51 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-one is sourced from PubChem (CID 83275427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).