4,5-dihydro-1,3-oxazol-2-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone

C19H23F3N2O4S — CID 70863070

IUPAC4,5-dihydro-1,3-oxazol-2-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
SMILESCC(C)(C1CCN(C(=O)C2=NCCO2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H23F3N2O4S/c1-18(2,29(26,27)15-5-3-4-14(12-15)19(20,21)22)13-6-9-24(10-7-13)17(25)16-23-8-11-28-16/h3-5,12-13H,6-11H2,1-2H3
InChIKeyVIRUVEXWPSGGDM-UHFFFAOYSA-N
MW432.46 g/mol
LogP2.92
Rot. Bonds4

About 4,5-dihydro-1,3-oxazol-2-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone

4,5-dihydro-1,3-oxazol-2-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone (PubChem CID 70863070) has the molecular formula C19H23F3N2O4S and a molecular weight of 432.46 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazol-2-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazol-2-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
PubChem CID70863070
Molecular FormulaC19H23F3N2O4S
Molecular Weight432.46 g/mol
Exact Mass432.13
IUPAC Name4,5-dihydro-1,3-oxazol-2-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
SMILESCC(C)(C1CCN(C(=O)C2=NCCO2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H23F3N2O4S/c1-18(2,29(26,27)15-5-3-4-14(12-15)19(20,21)22)13-6-9-24(10-7-13)17(25)16-23-8-11-28-16/h3-5,12-13H,6-11H2,1-2H3
InChIKeyVIRUVEXWPSGGDM-UHFFFAOYSA-N
XLogP2.92
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-oxazol-2-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone?
The IUPAC name of 4,5-dihydro-1,3-oxazol-2-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone (CID 70863070) is 4,5-dihydro-1,3-oxazol-2-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 4,5-dihydro-1,3-oxazol-2-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for 4,5-dihydro-1,3-oxazol-2-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone is CC(C)(C1CCN(C(=O)C2=NCCO2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4,5-dihydro-1,3-oxazol-2-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone?
The InChIKey is VIRUVEXWPSGGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O4S/c1-18(2,29(26,27)15-5-3-4-14(12-15)19(20,21)22)13-6-9-24(10-7-13)17(25)16-23-8-11-28-16/h3-5,12-13H,6-11H2,1-2H3.
What are the key properties of 4,5-dihydro-1,3-oxazol-2-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone?
4,5-dihydro-1,3-oxazol-2-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone has a molecular weight of 432.46 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazol-2-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70863070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).