3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one

C13H10F3NO3 — CID 12015650

IUPAC3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCOC1=O
InChIInChI=1S/C13H10F3NO3/c14-13(15,16)10-4-1-9(2-5-10)3-6-11(18)17-7-8-20-12(17)19/h1-6H,7-8H2/b6-3+
InChIKeyVRSYLHLNPGLMMO-ZZXKWVIFSA-N
MW285.22 g/mol
LogP2.70
Rot. Bonds2

About 3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one

3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 12015650) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is 3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID12015650
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC Name3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCOC1=O
InChIInChI=1S/C13H10F3NO3/c14-13(15,16)10-4-1-9(2-5-10)3-6-11(18)17-7-8-20-12(17)19/h1-6H,7-8H2/b6-3+
InChIKeyVRSYLHLNPGLMMO-ZZXKWVIFSA-N
XLogP2.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]pyrrolidin-2-one
CID 11673595
Morpholine, 3-methyl-4-(1-oxo-3-(4-(trifluoromethyl)phenyl)-2-propenyl)-
CID 6447865
Morpholine, 4-(1-oxo-3-(4-(trifluoromethyl)phenyl)-2-propenyl)-
CID 6447867
ethyl {(5Z)-2,4-dioxo-5-[4-(trifluoromethyl)benzylidene]-1,3-thiazolidin-3-yl}acetate
CID 2287582
3-[2-Fluoro-4-(trifluoromethyl)benzyl]-1,3-oxazolidin-2-one
CID 72912702
1-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 137634817
(4S)-3-(4,4,4-Trifluorocrotonoyl)-4beta-benzyloxazolidine-2-one
CID 10379977
3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 10657387
3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 92020209
3-Cinnamoyloxazolidin-2-one
CID 677095
3-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 10515014
3-[2-(Trifluoromethyl)cinnamoyl]oxazolidine-2-one
CID 10636854

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one (CID 12015650) is 3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one is O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCOC1=O.
What is the InChIKey of 3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is VRSYLHLNPGLMMO-ZZXKWVIFSA-N. The full InChI is InChI=1S/C13H10F3NO3/c14-13(15,16)10-4-1-9(2-5-10)3-6-11(18)17-7-8-20-12(17)19/h1-6H,7-8H2/b6-3+.
What are the key properties of 3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one?
3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 285.22 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 12015650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).