2-(3-methylphenoxy)-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone

C17H18F3N3O3 — CID 90540157

IUPAC2-(3-methylphenoxy)-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
SMILESCc1cccc(OCC(=O)N2CCCC(c3nnc(C(F)(F)F)o3)C2)c1
InChIInChI=1S/C17H18F3N3O3/c1-11-4-2-6-13(8-11)25-10-14(24)23-7-3-5-12(9-23)15-21-22-16(26-15)17(18,19)20/h2,4,6,8,12H,3,5,7,9-10H2,1H3
InChIKeyDPVYIMLKCXLSEF-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.18
Rot. Bonds4

About 2-(3-methylphenoxy)-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone

2-(3-methylphenoxy)-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 90540157) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenoxy)-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
PubChem CID90540157
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name2-(3-methylphenoxy)-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
SMILESCc1cccc(OCC(=O)N2CCCC(c3nnc(C(F)(F)F)o3)C2)c1
InChIInChI=1S/C17H18F3N3O3/c1-11-4-2-6-13(8-11)25-10-14(24)23-7-3-5-12(9-23)15-21-22-16(26-15)17(18,19)20/h2,4,6,8,12H,3,5,7,9-10H2,1H3
InChIKeyDPVYIMLKCXLSEF-UHFFFAOYSA-N
XLogP3.18
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-methylphenoxy)-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 71793037
2-phenoxy-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 71793046
N-(3,5-dimethylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90540294
(2,6-difluorophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540125
(4-methoxyphenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540104
2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255771
1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 92569534
1-[4-[2-(3-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796496
4-[1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256758
N-(2,3-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90540277
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 97104476
1-[3-(methylaminomethyl)piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 119395870

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-methylphenoxy)-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone (CID 90540157) is 2-(3-methylphenoxy)-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylphenoxy)-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methylphenoxy)-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone is Cc1cccc(OCC(=O)N2CCCC(c3nnc(C(F)(F)F)o3)C2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is DPVYIMLKCXLSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-11-4-2-6-13(8-11)25-10-14(24)23-7-3-5-12(9-23)15-21-22-16(26-15)17(18,19)20/h2,4,6,8,12H,3,5,7,9-10H2,1H3.
What are the key properties of 2-(3-methylphenoxy)-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
2-(3-methylphenoxy)-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 369.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 90540157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).