1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C18H23F3N2O2 — CID 124758386

IUPAC1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCCC1=NO[C@H](CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C18H23F3N2O2/c1-2-15-11-16(25-22-15)12-23-8-6-17(24,7-9-23)13-4-3-5-14(10-13)18(19,20)21/h3-5,10,16,24H,2,6-9,11-12H2,1H3/t16-/m0/s1
InChIKeyYLDOUDHZELWGQZ-INIZCTEOSA-N
MW356.39 g/mol
LogP3.54
Rot. Bonds4

About 1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 124758386) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID124758386
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCCC1=NO[C@H](CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C18H23F3N2O2/c1-2-15-11-16(25-22-15)12-23-8-6-17(24,7-9-23)13-4-3-5-14(10-13)18(19,20)21/h3-5,10,16,24H,2,6-9,11-12H2,1H3/t16-/m0/s1
InChIKeyYLDOUDHZELWGQZ-INIZCTEOSA-N
XLogP3.54
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 124758386) is 1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is CCC1=NO[C@H](CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)C1.
What is the InChIKey of 1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is YLDOUDHZELWGQZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c1-2-15-11-16(25-22-15)12-23-8-6-17(24,7-9-23)13-4-3-5-14(10-13)18(19,20)21/h3-5,10,16,24H,2,6-9,11-12H2,1H3/t16-/m0/s1.
What are the key properties of 1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 356.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 124758386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).