methyl 2-[methyl-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]acetate

C16H15F3N2O5 — CID 42393681

IUPACmethyl 2-[methyl-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H15F3N2O5/c1-21(7-14(22)24-2)15(23)12-8-26-13(20-12)9-25-11-5-3-4-10(6-11)16(17,18)19/h3-6,8H,7,9H2,1-2H3
InChIKeyQLKPGBCXPZCFFO-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.52
Rot. Bonds6

About methyl 2-[methyl-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]acetate

methyl 2-[methyl-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]acetate (PubChem CID 42393681) has the molecular formula C16H15F3N2O5 and a molecular weight of 372.30 g/mol. Its IUPAC name is methyl 2-[methyl-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]acetate
PubChem CID42393681
Molecular FormulaC16H15F3N2O5
Molecular Weight372.30 g/mol
Exact Mass372.09
IUPAC Namemethyl 2-[methyl-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H15F3N2O5/c1-21(7-14(22)24-2)15(23)12-8-26-13(20-12)9-25-11-5-3-4-10(6-11)16(17,18)19/h3-6,8H,7,9H2,1-2H3
InChIKeyQLKPGBCXPZCFFO-UHFFFAOYSA-N
XLogP2.52
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-prop-2-enyl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 42245332
N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 26390943
N-[[(2S)-oxan-2-yl]methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 42154892
N-[(3-methyl-4-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 42198397
N-(oxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 45171870
N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 26410425
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 45224537
N-[(2-amino-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 56711693
(3-methoxypiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazol-4-yl]methanone
CID 45200891
N-(1,4-dioxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 56701361
[(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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]acetate (CID 42393681) is methyl 2-[methyl-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]acetate is COC(=O)CN(C)C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of methyl 2-[methyl-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]acetate?
The InChIKey is QLKPGBCXPZCFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O5/c1-21(7-14(22)24-2)15(23)12-8-26-13(20-12)9-25-11-5-3-4-10(6-11)16(17,18)19/h3-6,8H,7,9H2,1-2H3.
What are the key properties of methyl 2-[methyl-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]acetate?
methyl 2-[methyl-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]acetate has a molecular weight of 372.30 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carbonyl]amino]acetate is sourced from PubChem (CID 42393681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).