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

C18H13F2NO3 — CID 122601351

IUPAC(5R)-3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-5-phenyl-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1cc(F)cc(F)c1)N1C[C@@H](c2ccccc2)OC1=O
InChIInChI=1S/C18H13F2NO3/c19-14-8-12(9-15(20)10-14)6-7-17(22)21-11-16(24-18(21)23)13-4-2-1-3-5-13/h1-10,16H,11H2/b7-6+/t16-/m0/s1
InChIKeyGWSOMZCNJOBQCC-MOEXGYKKSA-N
MW329.30 g/mol
LogP3.70
Rot. Bonds3

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

(5R)-3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 122601351) has the molecular formula C18H13F2NO3 and a molecular weight of 329.30 g/mol. Its IUPAC name is (5R)-3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-5-phenyl-1,3-oxazolidin-2-one
PubChem CID122601351
Molecular FormulaC18H13F2NO3
Molecular Weight329.30 g/mol
Exact Mass329.09
IUPAC Name(5R)-3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-5-phenyl-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1cc(F)cc(F)c1)N1C[C@@H](c2ccccc2)OC1=O
InChIInChI=1S/C18H13F2NO3/c19-14-8-12(9-15(20)10-14)6-7-17(22)21-11-16(24-18(21)23)13-4-2-1-3-5-13/h1-10,16H,11H2/b7-6+/t16-/m0/s1
InChIKeyGWSOMZCNJOBQCC-MOEXGYKKSA-N
XLogP3.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 53.70
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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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-5-phenyl-1,3-oxazolidin-2-one (CID 122601351) is (5R)-3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-5-phenyl-1,3-oxazolidin-2-one is O=C(/C=C/c1cc(F)cc(F)c1)N1C[C@@H](c2ccccc2)OC1=O.
What is the InChIKey of (5R)-3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is GWSOMZCNJOBQCC-MOEXGYKKSA-N. The full InChI is InChI=1S/C18H13F2NO3/c19-14-8-12(9-15(20)10-14)6-7-17(22)21-11-16(24-18(21)23)13-4-2-1-3-5-13/h1-10,16H,11H2/b7-6+/t16-/m0/s1.
What are the key properties of (5R)-3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-5-phenyl-1,3-oxazolidin-2-one?
(5R)-3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 329.30 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 122601351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).