3-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one

C20H20F3N3O3 — CID 71120857

IUPAC3-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nc1
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)16-3-1-2-4-17(16)29-15-7-9-25(10-8-15)18-6-5-14(13-24-18)26-11-12-28-19(26)27/h1-6,13,15H,7-12H2
InChIKeyPRSYNAFANZWGLK-UHFFFAOYSA-N
MW407.39 g/mol
LogP4.10
Rot. Bonds4

About 3-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one

3-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 71120857) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 3-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID71120857
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name3-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nc1
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)16-3-1-2-4-17(16)29-15-7-9-25(10-8-15)18-6-5-14(13-24-18)26-11-12-28-19(26)27/h1-6,13,15H,7-12H2
InChIKeyPRSYNAFANZWGLK-UHFFFAOYSA-N
XLogP4.10
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one (CID 71120857) is 3-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nc1.
What is the InChIKey of 3-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is PRSYNAFANZWGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c21-20(22,23)16-3-1-2-4-17(16)29-15-7-9-25(10-8-15)18-6-5-14(13-24-18)26-11-12-28-19(26)27/h1-6,13,15H,7-12H2.
What are the key properties of 3-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one?
3-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 407.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71120857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).