(4R)-4-benzyl-3-[(E,2S,3S)-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-enoyl]-1,3-oxazolidin-2-one

C24H25NO4 — CID 67113561

IUPAC(4R)-4-benzyl-3-[(E,2S,3S)-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C24H25NO4/c1-2-9-21(22(26)15-14-18-10-5-3-6-11-18)23(27)25-20(17-29-24(25)28)16-19-12-7-4-8-13-19/h2-8,10-15,20-22,26H,1,9,16-17H2/b15-14+/t20-,21+,22+/m1/s1
InChIKeyRVBZFFHFANTNEB-GBFBBKFMSA-N
MW391.47 g/mol
LogP3.84
Rot. Bonds8

About (4R)-4-benzyl-3-[(E,2S,3S)-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-enoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(E,2S,3S)-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 67113561) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(E,2S,3S)-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(E,2S,3S)-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID67113561
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name(4R)-4-benzyl-3-[(E,2S,3S)-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C24H25NO4/c1-2-9-21(22(26)15-14-18-10-5-3-6-11-18)23(27)25-20(17-29-24(25)28)16-19-12-7-4-8-13-19/h2-8,10-15,20-22,26H,1,9,16-17H2/b15-14+/t20-,21+,22+/m1/s1
InChIKeyRVBZFFHFANTNEB-GBFBBKFMSA-N
XLogP3.84
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(E,2S,3S)-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(E,2S,3S)-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-enoyl]-1,3-oxazolidin-2-one (CID 67113561) is (4R)-4-benzyl-3-[(E,2S,3S)-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(E,2S,3S)-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(E,2S,3S)-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-enoyl]-1,3-oxazolidin-2-one is C=CC[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O)/C=C/c1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(E,2S,3S)-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is RVBZFFHFANTNEB-GBFBBKFMSA-N. The full InChI is InChI=1S/C24H25NO4/c1-2-9-21(22(26)15-14-18-10-5-3-6-11-18)23(27)25-20(17-29-24(25)28)16-19-12-7-4-8-13-19/h2-8,10-15,20-22,26H,1,9,16-17H2/b15-14+/t20-,21+,22+/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(E,2S,3S)-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-enoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(E,2S,3S)-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 391.47 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(E,2S,3S)-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67113561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).