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

C21H21NO2 — CID 11461333

IUPAC(4R)-3-[(1R)-1-phenylbut-3-enyl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@H](c1ccccc1)N1C(=O)OC[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C21H21NO2/c1-2-9-20(18-12-7-4-8-13-18)22-19(16-24-21(22)23)15-14-17-10-5-3-6-11-17/h2-8,10-15,19-20H,1,9,16H2/b15-14+/t19-,20-/m1/s1
InChIKeyMWTBBQSERZGTSH-ICQOZSIZSA-N
MW319.40 g/mol
LogP4.84
Rot. Bonds6

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

(4R)-3-[(1R)-1-phenylbut-3-enyl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one (PubChem CID 11461333) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is (4R)-3-[(1R)-1-phenylbut-3-enyl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(1R)-1-phenylbut-3-enyl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
PubChem CID11461333
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name(4R)-3-[(1R)-1-phenylbut-3-enyl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@H](c1ccccc1)N1C(=O)OC[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C21H21NO2/c1-2-9-20(18-12-7-4-8-13-18)22-19(16-24-21(22)23)15-14-17-10-5-3-6-11-17/h2-8,10-15,19-20H,1,9,16H2/b15-14+/t19-,20-/m1/s1
InChIKeyMWTBBQSERZGTSH-ICQOZSIZSA-N
XLogP4.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3-methyl-4-[(1S)-1-phenylbut-3-enyl]-1,3-oxazolidin-2-one
CID 59918948
(4S)-4-benzyl-3-[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]-1,3-oxazolidin-2-one
CID 102021010
N-[2-oxo-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-3-yl]-2-phenylacetamide
CID 135003759
(4S)-4-ethenyl-3-phenyl-1,3-oxazolidin-2-one
CID 129362731
(4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134975680
(4R)-4-phenyl-3-[(3S)-1-phenylhex-5-en-3-yl]-1,3-oxazolidin-2-one
CID 11809413
(4R)-4-benzyl-3-[(2S,3S)-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 67113562
(4R)-4-benzhydryl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
CID 11760765
(4S)-4-phenyl-3-[(2R)-2-[(1S)-1-phenylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 126708215
4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 68997353
1-tert-butyl-6-(2-phenylethenyl)piperidine-2,4-dione
CID 3449005
(2S)-1-[(4R)-4-benzhydryl-2-oxo-1,3-oxazolidin-3-yl]-4-phenyl-2-prop-2-enylbutane-1,4-dione
CID 135840157

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(1R)-1-phenylbut-3-enyl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(1R)-1-phenylbut-3-enyl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one (CID 11461333) is (4R)-3-[(1R)-1-phenylbut-3-enyl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(1R)-1-phenylbut-3-enyl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(1R)-1-phenylbut-3-enyl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one is C=CC[C@H](c1ccccc1)N1C(=O)OC[C@H]1/C=C/c1ccccc1.
What is the InChIKey of (4R)-3-[(1R)-1-phenylbut-3-enyl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
The InChIKey is MWTBBQSERZGTSH-ICQOZSIZSA-N. The full InChI is InChI=1S/C21H21NO2/c1-2-9-20(18-12-7-4-8-13-18)22-19(16-24-21(22)23)15-14-17-10-5-3-6-11-17/h2-8,10-15,19-20H,1,9,16H2/b15-14+/t19-,20-/m1/s1.
What are the key properties of (4R)-3-[(1R)-1-phenylbut-3-enyl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
(4R)-3-[(1R)-1-phenylbut-3-enyl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one has a molecular weight of 319.40 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(1R)-1-phenylbut-3-enyl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11461333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).