5-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one

C18H22N6O4S — CID 122334219

IUPAC5-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
SMILESCN(C)c1ccc(N2CCN(S(=O)(=O)c3ccc4oc(=O)n(C)c4c3)CC2)nn1
InChIInChI=1S/C18H22N6O4S/c1-21(2)16-6-7-17(20-19-16)23-8-10-24(11-9-23)29(26,27)13-4-5-15-14(12-13)22(3)18(25)28-15/h4-7,12H,8-11H2,1-3H3
InChIKeyUKXCJOAXYJCAHI-UHFFFAOYSA-N
MW418.48 g/mol
LogP0.50
Rot. Bonds4

About 5-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one

5-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one (PubChem CID 122334219) has the molecular formula C18H22N6O4S and a molecular weight of 418.48 g/mol. Its IUPAC name is 5-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
PubChem CID122334219
Molecular FormulaC18H22N6O4S
Molecular Weight418.48 g/mol
Exact Mass418.14
IUPAC Name5-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
SMILESCN(C)c1ccc(N2CCN(S(=O)(=O)c3ccc4oc(=O)n(C)c4c3)CC2)nn1
InChIInChI=1S/C18H22N6O4S/c1-21(2)16-6-7-17(20-19-16)23-8-10-24(11-9-23)29(26,27)13-4-5-15-14(12-13)22(3)18(25)28-15/h4-7,12H,8-11H2,1-3H3
InChIKeyUKXCJOAXYJCAHI-UHFFFAOYSA-N
XLogP0.50
TPSA104.78 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one with MolForge

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Related Compounds

6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053001
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053007
N,N-dimethyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyridazin-3-amine
CID 121053040
5-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 122341360
6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 122334241
3-methyl-5-(3-methylsulfonylpyrrolidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 90587052
6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine
CID 122335661
5-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 70772423
6-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053024
3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 122336539
6-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 20858987
6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 667129

Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 5-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one (CID 122334219) is 5-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one is CN(C)c1ccc(N2CCN(S(=O)(=O)c3ccc4oc(=O)n(C)c4c3)CC2)nn1.
What is the InChIKey of 5-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is UKXCJOAXYJCAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O4S/c1-21(2)16-6-7-17(20-19-16)23-8-10-24(11-9-23)29(26,27)13-4-5-15-14(12-13)22(3)18(25)28-15/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 5-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one?
5-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 418.48 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 122334219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).