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

C14H21F3N2O — CID 138032784

IUPAC4-[[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-2,5-dimethyl-1,3-oxazole
SMILESCc1nc(CN2CCC(C(F)(F)F)C(C)(C)C2)c(C)o1
InChIInChI=1S/C14H21F3N2O/c1-9-11(18-10(2)20-9)7-19-6-5-12(14(15,16)17)13(3,4)8-19/h12H,5-8H2,1-4H3
InChIKeyOTMDSHOMSYMMBB-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.70
Rot. Bonds2

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

4-[[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-2,5-dimethyl-1,3-oxazole (PubChem CID 138032784) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-[[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-2,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-2,5-dimethyl-1,3-oxazole
PubChem CID138032784
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name4-[[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-2,5-dimethyl-1,3-oxazole
SMILESCc1nc(CN2CCC(C(F)(F)F)C(C)(C)C2)c(C)o1
InChIInChI=1S/C14H21F3N2O/c1-9-11(18-10(2)20-9)7-19-6-5-12(14(15,16)17)13(3,4)8-19/h12H,5-8H2,1-4H3
InChIKeyOTMDSHOMSYMMBB-UHFFFAOYSA-N
XLogP3.70
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-2,5-dimethyl-1,3-oxazole?
The IUPAC name of 4-[[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-2,5-dimethyl-1,3-oxazole (CID 138032784) is 4-[[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-2,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 4-[[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-2,5-dimethyl-1,3-oxazole?
The canonical SMILES for 4-[[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-2,5-dimethyl-1,3-oxazole is Cc1nc(CN2CCC(C(F)(F)F)C(C)(C)C2)c(C)o1.
What is the InChIKey of 4-[[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-2,5-dimethyl-1,3-oxazole?
The InChIKey is OTMDSHOMSYMMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-9-11(18-10(2)20-9)7-19-6-5-12(14(15,16)17)13(3,4)8-19/h12H,5-8H2,1-4H3.
What are the key properties of 4-[[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-2,5-dimethyl-1,3-oxazole?
4-[[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-2,5-dimethyl-1,3-oxazole has a molecular weight of 290.33 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]methyl]-2,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 138032784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).