5-(2-methylpropyl)-3-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid

C20H26F3N3O3 — CID 154889805

IUPAC5-(2-methylpropyl)-3-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
SMILESCC(C)Cc1cc(CN2CCCCC2c2ccccn2)no1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N3O.C2HF3O2/c1-14(2)11-16-12-15(20-22-16)13-21-10-6-4-8-18(21)17-7-3-5-9-19-17;3-2(4,5)1(6)7/h3,5,7,9,12,14,18H,4,6,8,10-11,13H2,1-2H3;(H,6,7)
InChIKeyWWVFKPXBKVPLGU-UHFFFAOYSA-N
MW413.44 g/mol
LogP4.63
Rot. Bonds5

About 5-(2-methylpropyl)-3-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid

5-(2-methylpropyl)-3-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid (PubChem CID 154889805) has the molecular formula C20H26F3N3O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
PubChem CID154889805
Molecular FormulaC20H26F3N3O3
Molecular Weight413.44 g/mol
Exact Mass413.19
IUPAC Name5-(2-methylpropyl)-3-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
SMILESCC(C)Cc1cc(CN2CCCCC2c2ccccn2)no1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N3O.C2HF3O2/c1-14(2)11-16-12-15(20-22-16)13-21-10-6-4-8-18(21)17-7-3-5-9-19-17;3-2(4,5)1(6)7/h3,5,7,9,12,14,18H,4,6,8,10-11,13H2,1-2H3;(H,6,7)
InChIKeyWWVFKPXBKVPLGU-UHFFFAOYSA-N
XLogP4.63
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2-methylpropyl)-3-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid 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

5-propan-2-yl-3-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,2-oxazole
CID 124749238
[5-(2-methylpropyl)-1,2-oxazol-3-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 95128403
[5-(2-methylpropyl)-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 50964981
2-[1-(2-methylpropyl)piperidin-2-yl]pyridine
CID 102538970
2-[1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]pyridine;2,2,2-trifluoroacetic acid
CID 154887531
(3aS,6aR)-4-(2-methylpropyl)-1-(pyridin-2-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 171696927
2-(2-pyridin-2-ylpyrrolidin-1-yl)acetic acid
CID 131863720
3-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 154891009
2-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 95200148
2-methyl-4-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124755806
2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine
CID 91835201
2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]pyridine
CID 56918216

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-(2-methylpropyl)-3-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid (CID 154889805) is 5-(2-methylpropyl)-3-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-(2-methylpropyl)-3-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-(2-methylpropyl)-3-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid is CC(C)Cc1cc(CN2CCCCC2c2ccccn2)no1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-(2-methylpropyl)-3-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid?
The InChIKey is WWVFKPXBKVPLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O.C2HF3O2/c1-14(2)11-16-12-15(20-22-16)13-21-10-6-4-8-18(21)17-7-3-5-9-19-17;3-2(4,5)1(6)7/h3,5,7,9,12,14,18H,4,6,8,10-11,13H2,1-2H3;(H,6,7).
What are the key properties of 5-(2-methylpropyl)-3-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid?
5-(2-methylpropyl)-3-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid has a molecular weight of 413.44 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154889805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).