(4R)-4,5,5-triphenyl-3-[(E)-4-phenylmethoxybut-2-enoyl]-1,3-oxazolidin-2-one

C32H27NO4 — CID 102292332

IUPAC(4R)-4,5,5-triphenyl-3-[(E)-4-phenylmethoxybut-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/COCc1ccccc1)N1C(=O)OC(c2ccccc2)(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C32H27NO4/c34-29(22-13-23-36-24-25-14-5-1-6-15-25)33-30(26-16-7-2-8-17-26)32(37-31(33)35,27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-22,30H,23-24H2/b22-13+/t30-/m1/s1
InChIKeyQDTRSDYRGNBYMV-IMABDXBUSA-N
MW489.57 g/mol
LogP6.42
Rot. Bonds8

About (4R)-4,5,5-triphenyl-3-[(E)-4-phenylmethoxybut-2-enoyl]-1,3-oxazolidin-2-one

(4R)-4,5,5-triphenyl-3-[(E)-4-phenylmethoxybut-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 102292332) has the molecular formula C32H27NO4 and a molecular weight of 489.57 g/mol. Its IUPAC name is (4R)-4,5,5-triphenyl-3-[(E)-4-phenylmethoxybut-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4,5,5-triphenyl-3-[(E)-4-phenylmethoxybut-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID102292332
Molecular FormulaC32H27NO4
Molecular Weight489.57 g/mol
Exact Mass489.19
IUPAC Name(4R)-4,5,5-triphenyl-3-[(E)-4-phenylmethoxybut-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/COCc1ccccc1)N1C(=O)OC(c2ccccc2)(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C32H27NO4/c34-29(22-13-23-36-24-25-14-5-1-6-15-25)33-30(26-16-7-2-8-17-26)32(37-31(33)35,27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-22,30H,23-24H2/b22-13+/t30-/m1/s1
InChIKeyQDTRSDYRGNBYMV-IMABDXBUSA-N
XLogP6.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.57
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4R)-4,5,5-triphenyl-3-[(E)-4-phenylmethoxybut-2-enoyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4R,5S)-4-methyl-5-phenyl-3-[(Z)-5-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one
CID 11079051
(4R)-3-benzyl-4,5,5-triphenyl-1,3-oxazolidin-2-one
CID 10763812
(4R)-3-[(Z,2R)-4-methoxy-2-methylbut-3-enoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one
CID 132557266
(E)-5-phenylmethoxypent-3-en-2-one
CID 11095410
(4S)-3-[(2S)-2-(4-chlorophenyl)propanoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one
CID 102413091
3-[(E)-3-nitroprop-2-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102166389
benzyl N-[(2S)-2-methyl-3-oxo-3-[(4R)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate
CID 101258981
(4R,5S)-3-[(2S)-2-methoxy-3-phenylmethoxypropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10981479
5,5-diphenyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 5251096
5-phenylmethoxypent-3-enal
CID 54324259
(4R)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15854117
(4R,5S)-3-[(2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11176533

Frequently Asked Questions

What is the IUPAC name of (4R)-4,5,5-triphenyl-3-[(E)-4-phenylmethoxybut-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4,5,5-triphenyl-3-[(E)-4-phenylmethoxybut-2-enoyl]-1,3-oxazolidin-2-one (CID 102292332) is (4R)-4,5,5-triphenyl-3-[(E)-4-phenylmethoxybut-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4,5,5-triphenyl-3-[(E)-4-phenylmethoxybut-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4,5,5-triphenyl-3-[(E)-4-phenylmethoxybut-2-enoyl]-1,3-oxazolidin-2-one is O=C(/C=C/COCc1ccccc1)N1C(=O)OC(c2ccccc2)(c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (4R)-4,5,5-triphenyl-3-[(E)-4-phenylmethoxybut-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is QDTRSDYRGNBYMV-IMABDXBUSA-N. The full InChI is InChI=1S/C32H27NO4/c34-29(22-13-23-36-24-25-14-5-1-6-15-25)33-30(26-16-7-2-8-17-26)32(37-31(33)35,27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-22,30H,23-24H2/b22-13+/t30-/m1/s1.
What are the key properties of (4R)-4,5,5-triphenyl-3-[(E)-4-phenylmethoxybut-2-enoyl]-1,3-oxazolidin-2-one?
(4R)-4,5,5-triphenyl-3-[(E)-4-phenylmethoxybut-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 489.57 g/mol, XLogP of 6.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,5,5-triphenyl-3-[(E)-4-phenylmethoxybut-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102292332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).