2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

C12H15F3N2O3 — CID 58428727

IUPAC2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESCC1CC(C)CN(c2nc(C(F)(F)F)c(C(=O)O)o2)C1
InChIInChI=1S/C12H15F3N2O3/c1-6-3-7(2)5-17(4-6)11-16-9(12(13,14)15)8(20-11)10(18)19/h6-7H,3-5H2,1-2H3,(H,18,19)
InChIKeyJJYKUKUZWSJMEO-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.87
Rot. Bonds2

About 2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 58428727) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID58428727
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESCC1CC(C)CN(c2nc(C(F)(F)F)c(C(=O)O)o2)C1
InChIInChI=1S/C12H15F3N2O3/c1-6-3-7(2)5-17(4-6)11-16-9(12(13,14)15)8(20-11)10(18)19/h6-7H,3-5H2,1-2H3,(H,18,19)
InChIKeyJJYKUKUZWSJMEO-UHFFFAOYSA-N
XLogP2.87
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid
CID 87343436
2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 58428628
2-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 58428958
2-[4-(4-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 58428794
2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 58428795
2-(3,5-dimethylpiperidin-1-yl)-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212518
2-(3-methylbutan-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103199394
3-[[4-[4-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]phenyl]benzoyl]amino]propanoic acid
CID 58428485
2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46208787
4-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]-1,4-diazepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 58428988
5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 58429093
2-(2,2-dimethylcyclohexyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 107185730

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 58428727) is 2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is CC1CC(C)CN(c2nc(C(F)(F)F)c(C(=O)O)o2)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is JJYKUKUZWSJMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-6-3-7(2)5-17(4-6)11-16-9(12(13,14)15)8(20-11)10(18)19/h6-7H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 292.26 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 58428727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).