3,5-dimethyl-4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,2-oxazole

C14H16F3N5O3S — CID 133432353

IUPAC3,5-dimethyl-4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C14H16F3N5O3S/c1-9-13(10(2)25-20-9)26(23,24)22-7-5-21(6-8-22)12-4-3-11(18-19-12)14(15,16)17/h3-4H,5-8H2,1-2H3
InChIKeyRKFOEXWPUFYHGX-UHFFFAOYSA-N
MW391.38 g/mol
LogP1.61
Rot. Bonds3

About 3,5-dimethyl-4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,2-oxazole

3,5-dimethyl-4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,2-oxazole (PubChem CID 133432353) has the molecular formula C14H16F3N5O3S and a molecular weight of 391.38 g/mol. Its IUPAC name is 3,5-dimethyl-4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,2-oxazole
PubChem CID133432353
Molecular FormulaC14H16F3N5O3S
Molecular Weight391.38 g/mol
Exact Mass391.09
IUPAC Name3,5-dimethyl-4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C14H16F3N5O3S/c1-9-13(10(2)25-20-9)26(23,24)22-7-5-21(6-8-22)12-4-3-11(18-19-12)14(15,16)17/h3-4H,5-8H2,1-2H3
InChIKeyRKFOEXWPUFYHGX-UHFFFAOYSA-N
XLogP1.61
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 121053065
3,5-dimethyl-4-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 121053093
6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 42112005
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 5013931
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 23763505
4-[4-(2,6-dichlorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113080468
3,5-dimethyl-4-[4-(2,3,4-trifluorophenyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 113081207
3,5-dimethyl-4-[[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole
CID 133481686
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 20851639
3,5-dimethyl-4-[[4-(4-methylphenyl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole
CID 75461716
4-[4-(2,5-dichlorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113080319

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,2-oxazole (CID 133432353) is 3,5-dimethyl-4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(C(F)(F)F)nn2)CC1.
What is the InChIKey of 3,5-dimethyl-4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,2-oxazole?
The InChIKey is RKFOEXWPUFYHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O3S/c1-9-13(10(2)25-20-9)26(23,24)22-7-5-21(6-8-22)12-4-3-11(18-19-12)14(15,16)17/h3-4H,5-8H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,2-oxazole?
3,5-dimethyl-4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,2-oxazole has a molecular weight of 391.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,2-oxazole is sourced from PubChem (CID 133432353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).