3-acetyl-1,3-oxazolidin-2-one;benzene;1-ethyl-4-(trifluoromethyl)benzene

C20H22F3NO3 — CID 142842366

IUPAC3-acetyl-1,3-oxazolidin-2-one;benzene;1-ethyl-4-(trifluoromethyl)benzene
SMILESCC(=O)N1CCOC1=O.CCc1ccc(C(F)(F)F)cc1.c1ccccc1
InChIInChI=1S/C9H9F3.C6H6.C5H7NO3/c1-2-7-3-5-8(6-4-7)9(10,11)12;1-2-4-6-5-3-1;1-4(7)6-2-3-9-5(6)8/h3-6H,2H2,1H3;1-6H;2-3H2,1H3
InChIKeyCWEKACYXPIZQGS-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.94
Rot. Bonds1

About 3-acetyl-1,3-oxazolidin-2-one;benzene;1-ethyl-4-(trifluoromethyl)benzene

3-acetyl-1,3-oxazolidin-2-one;benzene;1-ethyl-4-(trifluoromethyl)benzene (PubChem CID 142842366) has the molecular formula C20H22F3NO3 and a molecular weight of 381.39 g/mol. Its IUPAC name is 3-acetyl-1,3-oxazolidin-2-one;benzene;1-ethyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name3-acetyl-1,3-oxazolidin-2-one;benzene;1-ethyl-4-(trifluoromethyl)benzene
PubChem CID142842366
Molecular FormulaC20H22F3NO3
Molecular Weight381.39 g/mol
Exact Mass381.16
IUPAC Name3-acetyl-1,3-oxazolidin-2-one;benzene;1-ethyl-4-(trifluoromethyl)benzene
SMILESCC(=O)N1CCOC1=O.CCc1ccc(C(F)(F)F)cc1.c1ccccc1
InChIInChI=1S/C9H9F3.C6H6.C5H7NO3/c1-2-7-3-5-8(6-4-7)9(10,11)12;1-2-4-6-5-3-1;1-4(7)6-2-3-9-5(6)8/h3-6H,2H2,1H3;1-6H;2-3H2,1H3
InChIKeyCWEKACYXPIZQGS-UHFFFAOYSA-N
XLogP4.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-(4-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141138
3-[6-[3-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145976181
3-[6-[4-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145970283
3-[4-(Trifluoromethyl)cinnamoyl]oxazolidine-2-one
CID 12015650
3-[(1S,2S,3R,5S)-3-fluoro-5-methyl-4-methylidene-2-phenylcyclohexanecarbonyl]-1,3-oxazolidin-2-one
CID 16751955
3-[(1S,2R,3S,4S)-3-fluoro-2-phenyl-4-(2,2,2-trifluoroethyl)cyclohexanecarbonyl]-1,3-oxazolidin-2-one
CID 134838673
3-[(1R,2S)-2-fluoro-1-(4-methylphenyl)-2-phenylethyl]-1,3-oxazolidin-2-one
CID 162406456
3-[(E)-2-[4-(trifluoromethyl)phenyl]-1-triphenylgermylethenyl]-1,3-oxazolidin-2-one
CID 168336468
3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 138547075
Ethyl 3-[2,2-bis(4-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate
CID 57075358
3-{2-[4-(Trifluoromethyl)phenyl]ethyl}-1,3-oxazolidine-2,4-dione
CID 67528883
3-[[4-(2,4-Difluorophenyl)-3-fluorophenyl]methyl]-1,3-oxazolidin-2-one
CID 68943449

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1,3-oxazolidin-2-one;benzene;1-ethyl-4-(trifluoromethyl)benzene?
The IUPAC name of 3-acetyl-1,3-oxazolidin-2-one;benzene;1-ethyl-4-(trifluoromethyl)benzene (CID 142842366) is 3-acetyl-1,3-oxazolidin-2-one;benzene;1-ethyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 3-acetyl-1,3-oxazolidin-2-one;benzene;1-ethyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 3-acetyl-1,3-oxazolidin-2-one;benzene;1-ethyl-4-(trifluoromethyl)benzene is CC(=O)N1CCOC1=O.CCc1ccc(C(F)(F)F)cc1.c1ccccc1.
What is the InChIKey of 3-acetyl-1,3-oxazolidin-2-one;benzene;1-ethyl-4-(trifluoromethyl)benzene?
The InChIKey is CWEKACYXPIZQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3.C6H6.C5H7NO3/c1-2-7-3-5-8(6-4-7)9(10,11)12;1-2-4-6-5-3-1;1-4(7)6-2-3-9-5(6)8/h3-6H,2H2,1H3;1-6H;2-3H2,1H3.
What are the key properties of 3-acetyl-1,3-oxazolidin-2-one;benzene;1-ethyl-4-(trifluoromethyl)benzene?
3-acetyl-1,3-oxazolidin-2-one;benzene;1-ethyl-4-(trifluoromethyl)benzene has a molecular weight of 381.39 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1,3-oxazolidin-2-one;benzene;1-ethyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 142842366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).