[(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate

C24H21NO5 — CID 56673742

IUPAC[(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate
SMILESCC(=O)O[C@H]1C=CC(=O)O[C@@H]1[C@H]1N=C(/C=C/c2ccccc2)O[C@@H]1c1ccccc1
InChIInChI=1S/C24H21NO5/c1-16(26)28-19-13-15-21(27)30-24(19)22-23(18-10-6-3-7-11-18)29-20(25-22)14-12-17-8-4-2-5-9-17/h2-15,19,22-24H,1H3/b14-12+/t19-,22-,23+,24-/m0/s1
InChIKeyIOIJWZFJSPLOBN-AYPROLCYSA-N
MW403.43 g/mol
LogP3.65
Rot. Bonds5

About [(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate

[(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate (PubChem CID 56673742) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is [(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate
PubChem CID56673742
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Name[(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate
SMILESCC(=O)O[C@H]1C=CC(=O)O[C@@H]1[C@H]1N=C(/C=C/c2ccccc2)O[C@@H]1c1ccccc1
InChIInChI=1S/C24H21NO5/c1-16(26)28-19-13-15-21(27)30-24(19)22-23(18-10-6-3-7-11-18)29-20(25-22)14-12-17-8-4-2-5-9-17/h2-15,19,22-24H,1H3/b14-12+/t19-,22-,23+,24-/m0/s1
InChIKeyIOIJWZFJSPLOBN-AYPROLCYSA-N
XLogP3.65
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate?
The IUPAC name of [(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate (CID 56673742) is [(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate.
What is the SMILES notation for [(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate?
The canonical SMILES for [(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate is CC(=O)O[C@H]1C=CC(=O)O[C@@H]1[C@H]1N=C(/C=C/c2ccccc2)O[C@@H]1c1ccccc1.
What is the InChIKey of [(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate?
The InChIKey is IOIJWZFJSPLOBN-AYPROLCYSA-N. The full InChI is InChI=1S/C24H21NO5/c1-16(26)28-19-13-15-21(27)30-24(19)22-23(18-10-6-3-7-11-18)29-20(25-22)14-12-17-8-4-2-5-9-17/h2-15,19,22-24H,1H3/b14-12+/t19-,22-,23+,24-/m0/s1.
What are the key properties of [(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate?
[(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate has a molecular weight of 403.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate is sourced from PubChem (CID 56673742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).