1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethanone

C17H13F2NO2 — CID 56975539

IUPAC1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(C2COC(c3c(F)cccc3F)=N2)cc1
InChIInChI=1S/C17H13F2NO2/c1-10(21)11-5-7-12(8-6-11)15-9-22-17(20-15)16-13(18)3-2-4-14(16)19/h2-8,15H,9H2,1H3
InChIKeyYFLIIYJELCNMRI-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.69
Rot. Bonds3

About 1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethanone

1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethanone (PubChem CID 56975539) has the molecular formula C17H13F2NO2 and a molecular weight of 301.29 g/mol. Its IUPAC name is 1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethanone
PubChem CID56975539
Molecular FormulaC17H13F2NO2
Molecular Weight301.29 g/mol
Exact Mass301.09
IUPAC Name1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(C2COC(c3c(F)cccc3F)=N2)cc1
InChIInChI=1S/C17H13F2NO2/c1-10(21)11-5-7-12(8-6-11)15-9-22-17(20-15)16-13(18)3-2-4-14(16)19/h2-8,15H,9H2,1H3
InChIKeyYFLIIYJELCNMRI-UHFFFAOYSA-N
XLogP3.69
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772
2-(2,6-Difluorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76334202
2-(2,6-Difluorophenyl)-4-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 14853231
2-(2,6-Difluorophenyl)-4-(4-dodecylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007777
2-(2,6-Difluorophenyl)-4-(4-pentadecylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007780
2-(2,6-Difluorophenyl)-4-(2-fluoro-4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15008028
2-(2,6-Difluorophenyl)-4-(2-fluoro-4-heptylphenyl)-4,5-dihydro-1,3-oxazole
CID 15008032
4-(4-Decyl-2-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 15008037
2-(2,6-Difluorophenyl)-4-(4-dodecyl-2-fluorophenyl)-4,5-dihydro-1,3-oxazole
CID 15008040
2-(2,6-Difluorophenyl)-4-(2-fluoro-4-hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 76308798
4-(4-Butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 76316022

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethanone (CID 56975539) is 1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethanone is CC(=O)c1ccc(C2COC(c3c(F)cccc3F)=N2)cc1.
What is the InChIKey of 1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethanone?
The InChIKey is YFLIIYJELCNMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO2/c1-10(21)11-5-7-12(8-6-11)15-9-22-17(20-15)16-13(18)3-2-4-14(16)19/h2-8,15H,9H2,1H3.
What are the key properties of 1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethanone?
1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethanone has a molecular weight of 301.29 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethanone is sourced from PubChem (CID 56975539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).