2-[1-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]heptyl]-1,3-oxazole-4-carboxamide

C20H24F3N3O5 — CID 91498229

IUPAC2-[1-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]heptyl]-1,3-oxazole-4-carboxamide
SMILESCCCCCCC(NC(=O)COc1ccc(OC(F)(F)F)cc1)c1nc(C(N)=O)co1
InChIInChI=1S/C20H24F3N3O5/c1-2-3-4-5-6-15(19-26-16(11-30-19)18(24)28)25-17(27)12-29-13-7-9-14(10-8-13)31-20(21,22)23/h7-11,15H,2-6,12H2,1H3,(H2,24,28)(H,25,27)
InChIKeyZSGGLGTUCLARSD-UHFFFAOYSA-N
MW443.42 g/mol
LogP3.88
Rot. Bonds12

About 2-[1-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]heptyl]-1,3-oxazole-4-carboxamide

2-[1-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]heptyl]-1,3-oxazole-4-carboxamide (PubChem CID 91498229) has the molecular formula C20H24F3N3O5 and a molecular weight of 443.42 g/mol. Its IUPAC name is 2-[1-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]heptyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]heptyl]-1,3-oxazole-4-carboxamide
PubChem CID91498229
Molecular FormulaC20H24F3N3O5
Molecular Weight443.42 g/mol
Exact Mass443.17
IUPAC Name2-[1-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]heptyl]-1,3-oxazole-4-carboxamide
SMILESCCCCCCC(NC(=O)COc1ccc(OC(F)(F)F)cc1)c1nc(C(N)=O)co1
InChIInChI=1S/C20H24F3N3O5/c1-2-3-4-5-6-15(19-26-16(11-30-19)18(24)28)25-17(27)12-29-13-7-9-14(10-8-13)31-20(21,22)23/h7-11,15H,2-6,12H2,1H3,(H2,24,28)(H,25,27)
InChIKeyZSGGLGTUCLARSD-UHFFFAOYSA-N
XLogP3.88
TPSA116.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(4-hexylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
CID 154332595
2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3292420
N-[5-amino-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide
CID 142574897
2-[4-(trifluoromethoxy)phenoxy]acetohydrazide
CID 2777305
2-(4-methoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 42957035
2-(4-ethoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46547803
2-(1-amino-2-methylbutyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3809377
1-(3,5-dimethyl-4-pentylpyrazol-1-yl)-2-[4-(trifluoromethoxy)phenoxy]ethanone
CID 3288069
2-[1-[4-[5-(trifluoromethoxy)-2-pyridinyl]triazol-1-yl]ethyl]-1,3-oxazole-4-carboxylic acid
CID 167817500
2-(4-methoxyphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711310
[4-[4-(trifluoromethoxy)phenoxy]carbonylphenyl] 4-octoxybenzoate
CID 102240940
N-(1-aminohexan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride
CID 119665333

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]heptyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]heptyl]-1,3-oxazole-4-carboxamide (CID 91498229) is 2-[1-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]heptyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]heptyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]heptyl]-1,3-oxazole-4-carboxamide is CCCCCCC(NC(=O)COc1ccc(OC(F)(F)F)cc1)c1nc(C(N)=O)co1.
What is the InChIKey of 2-[1-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]heptyl]-1,3-oxazole-4-carboxamide?
The InChIKey is ZSGGLGTUCLARSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O5/c1-2-3-4-5-6-15(19-26-16(11-30-19)18(24)28)25-17(27)12-29-13-7-9-14(10-8-13)31-20(21,22)23/h7-11,15H,2-6,12H2,1H3,(H2,24,28)(H,25,27).
What are the key properties of 2-[1-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]heptyl]-1,3-oxazole-4-carboxamide?
2-[1-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]heptyl]-1,3-oxazole-4-carboxamide has a molecular weight of 443.42 g/mol, XLogP of 3.88, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]heptyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 91498229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).