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

C19H19NO5 — CID 56677056

IUPAC[(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate
SMILESC/C=C\C1=N[C@H]([C@H]2OC(=O)C=C[C@@H]2OC(C)=O)[C@@H](c2ccccc2)O1
InChIInChI=1S/C19H19NO5/c1-3-7-15-20-17(18(24-15)13-8-5-4-6-9-13)19-14(23-12(2)21)10-11-16(22)25-19/h3-11,14,17-19H,1-2H3/b7-3-/t14-,17-,18+,19-/m0/s1
InChIKeyZANLIVQNKGPDDV-NTOKRAPCSA-N
MW341.36 g/mol
LogP2.51
Rot. Bonds4

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

[(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate (PubChem CID 56677056) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is [(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(Z)-prop-1-enyl]-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-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate
PubChem CID56677056
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name[(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate
SMILESC/C=C\C1=N[C@H]([C@H]2OC(=O)C=C[C@@H]2OC(C)=O)[C@@H](c2ccccc2)O1
InChIInChI=1S/C19H19NO5/c1-3-7-15-20-17(18(24-15)13-8-5-4-6-9-13)19-14(23-12(2)21)10-11-16(22)25-19/h3-11,14,17-19H,1-2H3/b7-3-/t14-,17-,18+,19-/m0/s1
InChIKeyZANLIVQNKGPDDV-NTOKRAPCSA-N
XLogP2.51
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(Z)-prop-1-enyl]-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-[(Z)-prop-1-enyl]-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-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate (CID 56677056) is [(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(Z)-prop-1-enyl]-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-[(Z)-prop-1-enyl]-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-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate is C/C=C\C1=N[C@H]([C@H]2OC(=O)C=C[C@@H]2OC(C)=O)[C@@H](c2ccccc2)O1.
What is the InChIKey of [(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate?
The InChIKey is ZANLIVQNKGPDDV-NTOKRAPCSA-N. The full InChI is InChI=1S/C19H19NO5/c1-3-7-15-20-17(18(24-15)13-8-5-4-6-9-13)19-14(23-12(2)21)10-11-16(22)25-19/h3-11,14,17-19H,1-2H3/b7-3-/t14-,17-,18+,19-/m0/s1.
What are the key properties of [(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate?
[(2R,3S)-6-oxo-2-[(4S,5R)-5-phenyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate has a molecular weight of 341.36 g/mol, XLogP of 2.51, 4 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-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-oxazol-4-yl]-2,3-dihydropyran-3-yl] acetate is sourced from PubChem (CID 56677056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).