(4-methoxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone

C18H19F3N2O4 — CID 28957767

IUPAC(4-methoxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
SMILESCOC1CCN(C(=O)c2cc(COc3cccc(C(F)(F)F)c3)on2)CC1
InChIInChI=1S/C18H19F3N2O4/c1-25-13-5-7-23(8-6-13)17(24)16-10-15(27-22-16)11-26-14-4-2-3-12(9-14)18(19,20)21/h2-4,9-10,13H,5-8,11H2,1H3
InChIKeyGVPSSZYSYZXFBT-UHFFFAOYSA-N
MW384.35 g/mol
LogP3.52
Rot. Bonds5

About (4-methoxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone

(4-methoxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone (PubChem CID 28957767) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is (4-methoxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
PubChem CID28957767
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC Name(4-methoxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
SMILESCOC1CCN(C(=O)c2cc(COc3cccc(C(F)(F)F)c3)on2)CC1
InChIInChI=1S/C18H19F3N2O4/c1-25-13-5-7-23(8-6-13)17(24)16-10-15(27-22-16)11-26-14-4-2-3-12(9-14)18(19,20)21/h2-4,9-10,13H,5-8,11H2,1H3
InChIKeyGVPSSZYSYZXFBT-UHFFFAOYSA-N
XLogP3.52
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of (4-methoxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone (CID 28957767) is (4-methoxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (4-methoxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (4-methoxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone is COC1CCN(C(=O)c2cc(COc3cccc(C(F)(F)F)c3)on2)CC1.
What is the InChIKey of (4-methoxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is GVPSSZYSYZXFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4/c1-25-13-5-7-23(8-6-13)17(24)16-10-15(27-22-16)11-26-14-4-2-3-12(9-14)18(19,20)21/h2-4,9-10,13H,5-8,11H2,1H3.
What are the key properties of (4-methoxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
(4-methoxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 384.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 28957767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).