N-(1,4-dioxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide

C17H17F3N2O5 — CID 56701361

IUPACN-(1,4-dioxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCC1COCCO1)c1coc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H17F3N2O5/c18-17(19,20)11-2-1-3-12(6-11)26-10-15-22-14(9-27-15)16(23)21-7-13-8-24-4-5-25-13/h1-3,6,9,13H,4-5,7-8,10H2,(H,21,23)
InChIKeyBPZFETYIJLKREB-UHFFFAOYSA-N
MW386.33 g/mol
LogP2.42
Rot. Bonds6

About N-(1,4-dioxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide

N-(1,4-dioxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 56701361) has the molecular formula C17H17F3N2O5 and a molecular weight of 386.33 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
PubChem CID56701361
Molecular FormulaC17H17F3N2O5
Molecular Weight386.33 g/mol
Exact Mass386.11
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCC1COCCO1)c1coc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H17F3N2O5/c18-17(19,20)11-2-1-3-12(6-11)26-10-15-22-14(9-27-15)16(23)21-7-13-8-24-4-5-25-13/h1-3,6,9,13H,4-5,7-8,10H2,(H,21,23)
InChIKeyBPZFETYIJLKREB-UHFFFAOYSA-N
XLogP2.42
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,4-dioxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide 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

N-[[(2S)-oxan-2-yl]methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 42154892
N-(oxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 45171870
N-(1,4-dioxan-2-ylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 45178795
N-prop-2-enyl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 42245332
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 45224537
N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 26390943
N-[(3-methyl-4-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 42198397
N-[(2-amino-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 56711693
2-[(3-fluorophenoxy)methyl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 26331295
methyl 2-[methyl-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]acetate
CID 42393681
[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazol-4-yl]methanone
CID 56722009
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazol-4-yl]methanone
CID 45239467

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide (CID 56701361) is N-(1,4-dioxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide is O=C(NCC1COCCO1)c1coc(COc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is BPZFETYIJLKREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O5/c18-17(19,20)11-2-1-3-12(6-11)26-10-15-22-14(9-27-15)16(23)21-7-13-8-24-4-5-25-13/h1-3,6,9,13H,4-5,7-8,10H2,(H,21,23).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide?
N-(1,4-dioxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 386.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56701361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).