5-methyl-3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]methyl]-1,2-oxazole

C17H20F3N3O2 — CID 171324061

IUPAC5-methyl-3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCC(COc3ccnc(C(F)(F)F)c3)CC2)no1
InChIInChI=1S/C17H20F3N3O2/c1-12-8-14(22-25-12)10-23-6-3-13(4-7-23)11-24-15-2-5-21-16(9-15)17(18,19)20/h2,5,8-9,13H,3-4,6-7,10-11H2,1H3
InChIKeyRBEDZPAOCHELCM-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.69
Rot. Bonds5

About 5-methyl-3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]methyl]-1,2-oxazole

5-methyl-3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 171324061) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 5-methyl-3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID171324061
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name5-methyl-3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCC(COc3ccnc(C(F)(F)F)c3)CC2)no1
InChIInChI=1S/C17H20F3N3O2/c1-12-8-14(22-25-12)10-23-6-3-13(4-7-23)11-24-15-2-5-21-16(9-15)17(18,19)20/h2,5,8-9,13H,3-4,6-7,10-11H2,1H3
InChIKeyRBEDZPAOCHELCM-UHFFFAOYSA-N
XLogP3.69
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]methyl]-1,2-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]methyl]-1,2-oxazole (CID 171324061) is 5-methyl-3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCC(COc3ccnc(C(F)(F)F)c3)CC2)no1.
What is the InChIKey of 5-methyl-3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is RBEDZPAOCHELCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-12-8-14(22-25-12)10-23-6-3-13(4-7-23)11-24-15-2-5-21-16(9-15)17(18,19)20/h2,5,8-9,13H,3-4,6-7,10-11H2,1H3.
What are the key properties of 5-methyl-3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]methyl]-1,2-oxazole?
5-methyl-3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 355.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 171324061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).