1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone

C11H9F2NO2 — CID 116826309

IUPAC1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
SMILESO=C(CC1=NCCO1)c1ccc(F)cc1F
InChIInChI=1S/C11H9F2NO2/c12-7-1-2-8(9(13)5-7)10(15)6-11-14-3-4-16-11/h1-2,5H,3-4,6H2
InChIKeyZVPSTUSVVSUFPX-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.97
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone

1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone (PubChem CID 116826309) has the molecular formula C11H9F2NO2 and a molecular weight of 225.19 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
PubChem CID116826309
Molecular FormulaC11H9F2NO2
Molecular Weight225.19 g/mol
Exact Mass225.06
IUPAC Name1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
SMILESO=C(CC1=NCCO1)c1ccc(F)cc1F
InChIInChI=1S/C11H9F2NO2/c12-7-1-2-8(9(13)5-7)10(15)6-11-14-3-4-16-11/h1-2,5H,3-4,6H2
InChIKeyZVPSTUSVVSUFPX-UHFFFAOYSA-N
XLogP1.97
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826352
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanone
CID 43337688
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone
CID 65478906
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone
CID 43797495
2-(2,5-dichlorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 65317205
2-cycloheptyl-1-(2,4-difluorophenyl)ethanone
CID 114457285
1-(2,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanone
CID 22911985
1-(2,4-difluorophenyl)-2-pyridazin-3-ylethanone
CID 18956540
2-(4,5-dihydro-1,3-oxazol-2-yl)-1-pyridin-3-ylethanone
CID 116826364
1-(2,4-difluorophenyl)-4-methylpentane-1,3-dione
CID 63319815

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone (CID 116826309) is 1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone is O=C(CC1=NCCO1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone?
The InChIKey is ZVPSTUSVVSUFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO2/c12-7-1-2-8(9(13)5-7)10(15)6-11-14-3-4-16-11/h1-2,5H,3-4,6H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone?
1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone has a molecular weight of 225.19 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone is sourced from PubChem (CID 116826309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).