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

C11H15F3N2O — CID 121018889

IUPAC5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1oncc1CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O/c1-8-9(6-15-17-8)7-16-4-2-10(3-5-16)11(12,13)14/h6,10H,2-5,7H2,1H3
InChIKeyXCLDZSABQJKFQL-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.76
Rot. Bonds2

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

5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 121018889) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID121018889
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1oncc1CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O/c1-8-9(6-15-17-8)7-16-4-2-10(3-5-16)11(12,13)14/h6,10H,2-5,7H2,1H3
InChIKeyXCLDZSABQJKFQL-UHFFFAOYSA-N
XLogP2.76
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole (CID 121018889) is 5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole is Cc1oncc1CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of 5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is XCLDZSABQJKFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-8-9(6-15-17-8)7-16-4-2-10(3-5-16)11(12,13)14/h6,10H,2-5,7H2,1H3.
What are the key properties of 5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole?
5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 248.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 121018889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).