5-tert-butyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-oxazole

C14H21F3N2O — CID 95143276

IUPAC5-tert-butyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCC(C)(C)c1cnc(CN2CCC[C@H](C(F)(F)F)C2)o1
InChIInChI=1S/C14H21F3N2O/c1-13(2,3)11-7-18-12(20-11)9-19-6-4-5-10(8-19)14(15,16)17/h7,10H,4-6,8-9H2,1-3H3/t10-/m0/s1
InChIKeyPLQDFHHXYGRSIK-JTQLQIEISA-N
MW290.33 g/mol
LogP3.75
Rot. Bonds2

About 5-tert-butyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-oxazole

5-tert-butyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 95143276) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-tert-butyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID95143276
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name5-tert-butyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCC(C)(C)c1cnc(CN2CCC[C@H](C(F)(F)F)C2)o1
InChIInChI=1S/C14H21F3N2O/c1-13(2,3)11-7-18-12(20-11)9-19-6-4-5-10(8-19)14(15,16)17/h7,10H,4-6,8-9H2,1-3H3/t10-/m0/s1
InChIKeyPLQDFHHXYGRSIK-JTQLQIEISA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-oxazole (CID 95143276) is 5-tert-butyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-oxazole is CC(C)(C)c1cnc(CN2CCC[C@H](C(F)(F)F)C2)o1.
What is the InChIKey of 5-tert-butyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is PLQDFHHXYGRSIK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-13(2,3)11-7-18-12(20-11)9-19-6-4-5-10(8-19)14(15,16)17/h7,10H,4-6,8-9H2,1-3H3/t10-/m0/s1.
What are the key properties of 5-tert-butyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-oxazole?
5-tert-butyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 290.33 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 95143276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).