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

C15H19FN2O3 — CID 135965914

IUPACN-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1CC(c2ccc(O)c(F)c2)=NO1
InChIInChI=1S/C15H19FN2O3/c1-15(2,3)14(20)17-8-10-7-12(18-21-10)9-4-5-13(19)11(16)6-9/h4-6,10,19H,7-8H2,1-3H3,(H,17,20)
InChIKeyXVCZEEJHXIXSLJ-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.19
Rot. Bonds3

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

N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 135965914) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-dimethylpropanamide
PubChem CID135965914
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC NameN-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1CC(c2ccc(O)c(F)c2)=NO1
InChIInChI=1S/C15H19FN2O3/c1-15(2,3)14(20)17-8-10-7-12(18-21-10)9-4-5-13(19)11(16)6-9/h4-6,10,19H,7-8H2,1-3H3,(H,17,20)
InChIKeyXVCZEEJHXIXSLJ-UHFFFAOYSA-N
XLogP2.19
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]propanamide
CID 76325095
N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]propanamide
CID 76314212
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
N-[[3-(3-Fluoro-4-methoxyphenyl)-4,5-dihydro-5-isoxazolyl]methyl]-2-propenamide
CID 132362390
N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 76321496
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)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
4-[5-[(Dimethylamino)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenol
CID 136126524

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-dimethylpropanamide (CID 135965914) is N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC1CC(c2ccc(O)c(F)c2)=NO1.
What is the InChIKey of N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is XVCZEEJHXIXSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-15(2,3)14(20)17-8-10-7-12(18-21-10)9-4-5-13(19)11(16)6-9/h4-6,10,19H,7-8H2,1-3H3,(H,17,20).
What are the key properties of N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-dimethylpropanamide?
N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 294.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 135965914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).