2-[[4-[(6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C15H18F3N5O2 — CID 163352787

IUPAC2-[[4-[(6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCc1ccc(OCC2CCN(Cc3nnc(C(F)(F)F)o3)CC2)nn1
InChIInChI=1S/C15H18F3N5O2/c1-10-2-3-12(20-19-10)24-9-11-4-6-23(7-5-11)8-13-21-22-14(25-13)15(16,17)18/h2-3,11H,4-9H2,1H3
InChIKeyFWFJVKREWJXBRW-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.48
Rot. Bonds5

About 2-[[4-[(6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[[4-[(6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 163352787) has the molecular formula C15H18F3N5O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is 2-[[4-[(6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-[(6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID163352787
Molecular FormulaC15H18F3N5O2
Molecular Weight357.34 g/mol
Exact Mass357.14
IUPAC Name2-[[4-[(6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCc1ccc(OCC2CCN(Cc3nnc(C(F)(F)F)o3)CC2)nn1
InChIInChI=1S/C15H18F3N5O2/c1-10-2-3-12(20-19-10)24-9-11-4-6-23(7-5-11)8-13-21-22-14(25-13)15(16,17)18/h2-3,11H,4-9H2,1H3
InChIKeyFWFJVKREWJXBRW-UHFFFAOYSA-N
XLogP2.48
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[(6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-[[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 154829483
6-tert-butyl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944433
6-pyridin-4-yl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942652
ethyl 4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate
CID 155980533
2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 171702256
N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171335579
2-[[4-[4-(4-methylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 146074373
2-[[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 154829258
N,N-dimethyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 172880763
N,N-dimethyl-6-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]pyridazin-3-amine
CID 163349137
1-benzofuran-2-yl-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
CID 154576332
3-[(1-benzylpiperidin-4-yl)methoxy]-6-(1,3-dimethylpyrazol-4-yl)pyridazine
CID 155407269

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-[(6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 163352787) is 2-[[4-[(6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-[(6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-[(6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is Cc1ccc(OCC2CCN(Cc3nnc(C(F)(F)F)o3)CC2)nn1.
What is the InChIKey of 2-[[4-[(6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is FWFJVKREWJXBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O2/c1-10-2-3-12(20-19-10)24-9-11-4-6-23(7-5-11)8-13-21-22-14(25-13)15(16,17)18/h2-3,11H,4-9H2,1H3.
What are the key properties of 2-[[4-[(6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[[4-[(6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 357.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 163352787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).