2-methyl-4-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]-1,3-oxazole

C19H23F3N2O — CID 56862957

IUPAC2-methyl-4-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1nc(CN2CCCC(CCc3ccccc3C(F)(F)F)C2)co1
InChIInChI=1S/C19H23F3N2O/c1-14-23-17(13-25-14)12-24-10-4-5-15(11-24)8-9-16-6-2-3-7-18(16)19(20,21)22/h2-3,6-7,13,15H,4-5,8-12H2,1H3
InChIKeyTZFQPTDWSHHMNU-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.85
Rot. Bonds5

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

2-methyl-4-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 56862957) has the molecular formula C19H23F3N2O and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-methyl-4-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID56862957
Molecular FormulaC19H23F3N2O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name2-methyl-4-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1nc(CN2CCCC(CCc3ccccc3C(F)(F)F)C2)co1
InChIInChI=1S/C19H23F3N2O/c1-14-23-17(13-25-14)12-24-10-4-5-15(11-24)8-9-16-6-2-3-7-18(16)19(20,21)22/h2-3,6-7,13,15H,4-5,8-12H2,1H3
InChIKeyTZFQPTDWSHHMNU-UHFFFAOYSA-N
XLogP4.85
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-methyl-4-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]-1,3-oxazole (CID 56862957) is 2-methyl-4-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-methyl-4-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]-1,3-oxazole is Cc1nc(CN2CCCC(CCc3ccccc3C(F)(F)F)C2)co1.
What is the InChIKey of 2-methyl-4-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is TZFQPTDWSHHMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O/c1-14-23-17(13-25-14)12-24-10-4-5-15(11-24)8-9-16-6-2-3-7-18(16)19(20,21)22/h2-3,6-7,13,15H,4-5,8-12H2,1H3.
What are the key properties of 2-methyl-4-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]-1,3-oxazole?
2-methyl-4-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 352.40 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 56862957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).