(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxy-4-phenylbut-2-enyl]-1,3-oxazolidin-2-one

C19H23NO4 — CID 57395521

IUPAC(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxy-4-phenylbut-2-enyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H]([C@H](O)/C=C/Cc2ccccc2)N1C(=O)C1CCCC1
InChIInChI=1S/C19H23NO4/c21-17(12-6-9-14-7-2-1-3-8-14)16-13-24-19(23)20(16)18(22)15-10-4-5-11-15/h1-3,6-8,12,15-17,21H,4-5,9-11,13H2/b12-6+/t16-,17+/m0/s1
InChIKeyATBAPVONTRIEKJ-DBLLSSSKSA-N
MW329.40 g/mol
LogP2.68
Rot. Bonds5

About (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxy-4-phenylbut-2-enyl]-1,3-oxazolidin-2-one

(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxy-4-phenylbut-2-enyl]-1,3-oxazolidin-2-one (PubChem CID 57395521) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxy-4-phenylbut-2-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxy-4-phenylbut-2-enyl]-1,3-oxazolidin-2-one
PubChem CID57395521
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxy-4-phenylbut-2-enyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H]([C@H](O)/C=C/Cc2ccccc2)N1C(=O)C1CCCC1
InChIInChI=1S/C19H23NO4/c21-17(12-6-9-14-7-2-1-3-8-14)16-13-24-19(23)20(16)18(22)15-10-4-5-11-15/h1-3,6-8,12,15-17,21H,4-5,9-11,13H2/b12-6+/t16-,17+/m0/s1
InChIKeyATBAPVONTRIEKJ-DBLLSSSKSA-N
XLogP2.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[(R)-2-((E)-3-Hydroxy-5-phenyl-pent-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid
CID 44269596
(4S)-3-[(2S,3S)-4-benzyl-3-hydroxy-2-methylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846980
(4S)-3-benzoyl-4-[(E,1R)-1-hydroxyhexadec-2-enyl]-1,3-oxazolidin-2-one
CID 15949468
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49846983
(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49847056
(4S)-4-[(E,1R)-1-hydroxyhexadec-2-enyl]-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 57392091
(4S)-4-[(E,1R)-1-hydroxyhexadec-2-enyl]-3-[(E)-4-phenylbut-3-enoyl]-1,3-oxazolidin-2-one
CID 57392092
(4S)-4-benzyl-3-[(E,2S,3R)-3-hydroxy-2-(2,2,2-trifluoroethyl)hex-4-enoyl]-1,3-oxazolidin-2-one
CID 72547436
(4S)-4-benzyl-3-[(2S,3R)-3-hydroxy-2-(2,2,2-trifluoroethyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 102223808
(4S)-4-benzyl-3-[(2S)-4,4,5,5,6,6,6-heptafluoro-2-[(1R)-1-hydroxyprop-2-enyl]hexanoyl]-1,3-oxazolidin-2-one
CID 102223810
(4S)-4-benzyl-3-[(2S,3R)-3-hydroxy-2-[(2R)-1,1,1-trifluorobutan-2-yl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 102223812
(4S)-3-[(3R)-3-hydroxy-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10731230

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxy-4-phenylbut-2-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxy-4-phenylbut-2-enyl]-1,3-oxazolidin-2-one (CID 57395521) is (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxy-4-phenylbut-2-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxy-4-phenylbut-2-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxy-4-phenylbut-2-enyl]-1,3-oxazolidin-2-one is O=C1OC[C@@H]([C@H](O)/C=C/Cc2ccccc2)N1C(=O)C1CCCC1.
What is the InChIKey of (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxy-4-phenylbut-2-enyl]-1,3-oxazolidin-2-one?
The InChIKey is ATBAPVONTRIEKJ-DBLLSSSKSA-N. The full InChI is InChI=1S/C19H23NO4/c21-17(12-6-9-14-7-2-1-3-8-14)16-13-24-19(23)20(16)18(22)15-10-4-5-11-15/h1-3,6-8,12,15-17,21H,4-5,9-11,13H2/b12-6+/t16-,17+/m0/s1.
What are the key properties of (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxy-4-phenylbut-2-enyl]-1,3-oxazolidin-2-one?
(4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxy-4-phenylbut-2-enyl]-1,3-oxazolidin-2-one has a molecular weight of 329.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(cyclopentanecarbonyl)-4-[(E,1R)-1-hydroxy-4-phenylbut-2-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 57395521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).