3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;ethane

C20H19F2NO3 — CID 144871050

IUPAC3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;ethane
SMILESCC.O=C(/C=C/c1cc(F)cc(F)c1)N1C(=O)OCC1c1ccccc1
InChIInChI=1S/C18H13F2NO3.C2H6/c19-14-8-12(9-15(20)10-14)6-7-17(22)21-16(11-24-18(21)23)13-4-2-1-3-5-13;1-2/h1-10,16H,11H2;1-2H3/b7-6+;
InChIKeyGKRSLXQZZZSTCC-UHDJGPCESA-N
MW359.37 g/mol
LogP4.72
Rot. Bonds3

About 3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;ethane

3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;ethane (PubChem CID 144871050) has the molecular formula C20H19F2NO3 and a molecular weight of 359.37 g/mol. Its IUPAC name is 3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;ethane.

Molecular Properties

Compound Name3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;ethane
PubChem CID144871050
Molecular FormulaC20H19F2NO3
Molecular Weight359.37 g/mol
Exact Mass359.13
IUPAC Name3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;ethane
SMILESCC.O=C(/C=C/c1cc(F)cc(F)c1)N1C(=O)OCC1c1ccccc1
InChIInChI=1S/C18H13F2NO3.C2H6/c19-14-8-12(9-15(20)10-14)6-7-17(22)21-16(11-24-18(21)23)13-4-2-1-3-5-13;1-2/h1-10,16H,11H2;1-2H3/b7-6+;
InChIKeyGKRSLXQZZZSTCC-UHDJGPCESA-N
XLogP4.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 54.72
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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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;ethane?
The IUPAC name of 3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;ethane (CID 144871050) is 3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;ethane.
What is the SMILES notation for 3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;ethane?
The canonical SMILES for 3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;ethane is CC.O=C(/C=C/c1cc(F)cc(F)c1)N1C(=O)OCC1c1ccccc1.
What is the InChIKey of 3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;ethane?
The InChIKey is GKRSLXQZZZSTCC-UHDJGPCESA-N. The full InChI is InChI=1S/C18H13F2NO3.C2H6/c19-14-8-12(9-15(20)10-14)6-7-17(22)21-16(11-24-18(21)23)13-4-2-1-3-5-13;1-2/h1-10,16H,11H2;1-2H3/b7-6+;.
What are the key properties of 3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;ethane?
3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;ethane has a molecular weight of 359.37 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;ethane is sourced from PubChem (CID 144871050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).