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

C16H21FN2O3 — CID 135966062

IUPACN-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC1CC(c2ccc(O)c(F)c2)=NO1
InChIInChI=1S/C16H21FN2O3/c1-16(2,3)15(21)18-7-6-11-9-13(19-22-11)10-4-5-14(20)12(17)8-10/h4-5,8,11,20H,6-7,9H2,1-3H3,(H,18,21)
InChIKeyLXIKXZQMCLIABU-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.58
Rot. Bonds4

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

N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 135966062) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID135966062
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC NameN-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC1CC(c2ccc(O)c(F)c2)=NO1
InChIInChI=1S/C16H21FN2O3/c1-16(2,3)15(21)18-7-6-11-9-13(19-22-11)10-4-5-14(20)12(17)8-10/h4-5,8,11,20H,6-7,9H2,1-3H3,(H,18,21)
InChIKeyLXIKXZQMCLIABU-UHFFFAOYSA-N
XLogP2.58
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 4-(2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetamido)butylcarbamate
CID 136043745
4-fluoro-N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)benzamide
CID 135966063
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
2,2,2-trifluoro-N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)acetamide
CID 135966020
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
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 N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-2,2-dimethylpropanamide (CID 135966062) is N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCC1CC(c2ccc(O)c(F)c2)=NO1.
What is the InChIKey of N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is LXIKXZQMCLIABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-16(2,3)15(21)18-7-6-11-9-13(19-22-11)10-4-5-14(20)12(17)8-10/h4-5,8,11,20H,6-7,9H2,1-3H3,(H,18,21).
What are the key properties of N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-2,2-dimethylpropanamide?
N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 308.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 135966062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).