tert-butyl (4R)-4-phenyl-2-[(1R)-1-phenylmethoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate

C26H33NO4 — CID 134878401

IUPACtert-butyl (4R)-4-phenyl-2-[(1R)-1-phenylmethoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate
SMILESC=CCC[C@@H](OCc1ccccc1)C1OC[C@@H](c2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C26H33NO4/c1-5-6-17-23(29-18-20-13-9-7-10-14-20)24-27(25(28)31-26(2,3)4)22(19-30-24)21-15-11-8-12-16-21/h5,7-16,22-24H,1,6,17-19H2,2-4H3/t22-,23+,24?/m0/s1
InChIKeyRCDYZOSKXMDIJD-XAGPSQNTSA-N
MW423.55 g/mol
LogP5.87
Rot. Bonds8

About tert-butyl (4R)-4-phenyl-2-[(1R)-1-phenylmethoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-phenyl-2-[(1R)-1-phenylmethoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 134878401) has the molecular formula C26H33NO4 and a molecular weight of 423.55 g/mol. Its IUPAC name is tert-butyl (4R)-4-phenyl-2-[(1R)-1-phenylmethoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-phenyl-2-[(1R)-1-phenylmethoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate
PubChem CID134878401
Molecular FormulaC26H33NO4
Molecular Weight423.55 g/mol
Exact Mass423.24
IUPAC Nametert-butyl (4R)-4-phenyl-2-[(1R)-1-phenylmethoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate
SMILESC=CCC[C@@H](OCc1ccccc1)C1OC[C@@H](c2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C26H33NO4/c1-5-6-17-23(29-18-20-13-9-7-10-14-20)24-27(25(28)31-26(2,3)4)22(19-30-24)21-15-11-8-12-16-21/h5,7-16,22-24H,1,6,17-19H2,2-4H3/t22-,23+,24?/m0/s1
InChIKeyRCDYZOSKXMDIJD-XAGPSQNTSA-N
XLogP5.87
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.55
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (4R)-4-phenyl-2-[(1R)-1-phenylmethoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 237192
tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
CID 981230
Benzyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 981233
(2R,3S)-(-)-N-Z-6-oxo-2,3-diphenylmorpholine
CID 981238
Benzyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 3902786
tert-Butyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 4533742
(4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone
CID 9859564
Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
(4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone
CID 10868374
3-(1-Benzyl-piperidin-4-yl)-5,5-diphenyl-oxazolidin-2-one
CID 16124710
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-phenyl-2-[(1R)-1-phenylmethoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-phenyl-2-[(1R)-1-phenylmethoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate (CID 134878401) is tert-butyl (4R)-4-phenyl-2-[(1R)-1-phenylmethoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-phenyl-2-[(1R)-1-phenylmethoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-phenyl-2-[(1R)-1-phenylmethoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate is C=CCC[C@@H](OCc1ccccc1)C1OC[C@@H](c2ccccc2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-phenyl-2-[(1R)-1-phenylmethoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is RCDYZOSKXMDIJD-XAGPSQNTSA-N. The full InChI is InChI=1S/C26H33NO4/c1-5-6-17-23(29-18-20-13-9-7-10-14-20)24-27(25(28)31-26(2,3)4)22(19-30-24)21-15-11-8-12-16-21/h5,7-16,22-24H,1,6,17-19H2,2-4H3/t22-,23+,24?/m0/s1.
What are the key properties of tert-butyl (4R)-4-phenyl-2-[(1R)-1-phenylmethoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-phenyl-2-[(1R)-1-phenylmethoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 423.55 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-phenyl-2-[(1R)-1-phenylmethoxypent-4-enyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134878401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).