2,2,2-trifluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]acetamide

C13H12F4N2O3 — CID 135966020

IUPAC2,2,2-trifluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]acetamide
SMILESO=C(NCCC1CC(c2ccc(O)c(F)c2)=NO1)C(F)(F)F
InChIInChI=1S/C13H12F4N2O3/c14-9-5-7(1-2-11(9)20)10-6-8(22-19-10)3-4-18-12(21)13(15,16)17/h1-2,5,8,20H,3-4,6H2,(H,18,21)
InChIKeyUCWRVTGTONITDZ-UHFFFAOYSA-N
MW320.24 g/mol
LogP2.09
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]acetamide

2,2,2-trifluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]acetamide (PubChem CID 135966020) has the molecular formula C13H12F4N2O3 and a molecular weight of 320.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]acetamide
PubChem CID135966020
Molecular FormulaC13H12F4N2O3
Molecular Weight320.24 g/mol
Exact Mass320.08
IUPAC Name2,2,2-trifluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]acetamide
SMILESO=C(NCCC1CC(c2ccc(O)c(F)c2)=NO1)C(F)(F)F
InChIInChI=1S/C13H12F4N2O3/c14-9-5-7(1-2-11(9)20)10-6-8(22-19-10)3-4-18-12(21)13(15,16)17/h1-2,5,8,20H,3-4,6H2,(H,18,21)
InChIKeyUCWRVTGTONITDZ-UHFFFAOYSA-N
XLogP2.09
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetamide
CID 135973104
N-(4-aminobutyl)-2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetamide
CID 136043748
1-(2-(3-(3-Fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)pyrrolidine-2,5-dione
CID 135965913
N-((3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)pivalamide
CID 135965914
3-((3-(3-Fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-1,1-dimethylurea
CID 135965945
N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)pivalamide
CID 135966062
N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)-3-methylbutanamide
CID 136123461
N-((3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-methylbutanamide
CID 136123462
2,2,2-trifluoro-N-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}acetamide
CID 42648392
2,2,2-trifluoro-N-[3-(4-hydroxyphenyl)propyl]acetamide
CID 19076025
Methyl 4-[[2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]butanoate
CID 135973070
2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide
CID 135973100

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]acetamide (CID 135966020) is 2,2,2-trifluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]acetamide is O=C(NCCC1CC(c2ccc(O)c(F)c2)=NO1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]acetamide?
The InChIKey is UCWRVTGTONITDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2O3/c14-9-5-7(1-2-11(9)20)10-6-8(22-19-10)3-4-18-12(21)13(15,16)17/h1-2,5,8,20H,3-4,6H2,(H,18,21).
What are the key properties of 2,2,2-trifluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]acetamide has a molecular weight of 320.24 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 135966020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).