N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide

C18H17F3N4O3 — CID 24792979

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCN(Cc1nccn1C)C(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C18H17F3N4O3/c1-24-7-6-22-16(24)10-25(2)17(26)15-9-14(28-23-15)11-27-13-5-3-4-12(8-13)18(19,20)21/h3-9H,10-11H2,1-2H3
InChIKeyIPPGIIXXNNYRAN-UHFFFAOYSA-N
MW394.35 g/mol
LogP3.28
Rot. Bonds6

About N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24792979) has the molecular formula C18H17F3N4O3 and a molecular weight of 394.35 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
PubChem CID24792979
Molecular FormulaC18H17F3N4O3
Molecular Weight394.35 g/mol
Exact Mass394.13
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCN(Cc1nccn1C)C(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C18H17F3N4O3/c1-24-7-6-22-16(24)10-25(2)17(26)15-9-14(28-23-15)11-27-13-5-3-4-12(8-13)18(19,20)21/h3-9H,10-11H2,1-2H3
InChIKeyIPPGIIXXNNYRAN-UHFFFAOYSA-N
XLogP3.28
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 42520492
(4-methoxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
CID 28957767
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 112844022
5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 42101255
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19278361
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 56707993
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19278371
N-(1,4-dioxan-2-ylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 45178795
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 24791177
2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62662294
3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47116905
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19278358

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide (CID 24792979) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide is CN(Cc1nccn1C)C(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is IPPGIIXXNNYRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3/c1-24-7-6-22-16(24)10-25(2)17(26)15-9-14(28-23-15)11-27-13-5-3-4-12(8-13)18(19,20)21/h3-9H,10-11H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 394.35 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24792979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).