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

C22H20F3N3O4 — CID 24817717

IUPAC(4-pyridin-3-yloxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(COc2cccc(C(F)(F)F)c2)on1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C22H20F3N3O4/c23-22(24,25)15-3-1-4-17(11-15)30-14-19-12-20(27-32-19)21(29)28-9-6-16(7-10-28)31-18-5-2-8-26-13-18/h1-5,8,11-13,16H,6-7,9-10,14H2
InChIKeyWFQCNFVRHZBMQZ-UHFFFAOYSA-N
MW447.41 g/mol
LogP4.35
Rot. Bonds6

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

(4-pyridin-3-yloxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone (PubChem CID 24817717) has the molecular formula C22H20F3N3O4 and a molecular weight of 447.41 g/mol. Its IUPAC name is (4-pyridin-3-yloxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(4-pyridin-3-yloxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
PubChem CID24817717
Molecular FormulaC22H20F3N3O4
Molecular Weight447.41 g/mol
Exact Mass447.14
IUPAC Name(4-pyridin-3-yloxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(COc2cccc(C(F)(F)F)c2)on1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C22H20F3N3O4/c23-22(24,25)15-3-1-4-17(11-15)30-14-19-12-20(27-32-19)21(29)28-9-6-16(7-10-28)31-18-5-2-8-26-13-18/h1-5,8,11-13,16H,6-7,9-10,14H2
InChIKeyWFQCNFVRHZBMQZ-UHFFFAOYSA-N
XLogP4.35
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-pyridin-3-yloxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-3-yloxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of (4-pyridin-3-yloxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone (CID 24817717) is (4-pyridin-3-yloxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (4-pyridin-3-yloxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (4-pyridin-3-yloxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone is O=C(c1cc(COc2cccc(C(F)(F)F)c2)on1)N1CCC(Oc2cccnc2)CC1.
What is the InChIKey of (4-pyridin-3-yloxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is WFQCNFVRHZBMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O4/c23-22(24,25)15-3-1-4-17(11-15)30-14-19-12-20(27-32-19)21(29)28-9-6-16(7-10-28)31-18-5-2-8-26-13-18/h1-5,8,11-13,16H,6-7,9-10,14H2.
What are the key properties of (4-pyridin-3-yloxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
(4-pyridin-3-yloxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 447.41 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-3-yloxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 24817717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).