benzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate

C28H27NO5 — CID 70043070

IUPACbenzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
SMILESO=C(CC(Cc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C28H27NO5/c30-26(33-19-23-14-8-3-9-15-23)18-24(16-21-10-4-1-5-11-21)27(31)29-25(20-34-28(29)32)17-22-12-6-2-7-13-22/h1-15,24-25H,16-20H2/t24?,25-/m0/s1
InChIKeyPHMPFOFIRNKOSP-BBMPLOMVSA-N
MW457.53 g/mol
LogP4.57
Rot. Bonds9

About benzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate

benzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate (PubChem CID 70043070) has the molecular formula C28H27NO5 and a molecular weight of 457.53 g/mol. Its IUPAC name is benzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate.

Molecular Properties

Compound Namebenzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
PubChem CID70043070
Molecular FormulaC28H27NO5
Molecular Weight457.53 g/mol
Exact Mass457.19
IUPAC Namebenzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
SMILESO=C(CC(Cc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C28H27NO5/c30-26(33-19-23-14-8-3-9-15-23)18-24(16-21-10-4-1-5-11-21)27(31)29-25(20-34-28(29)32)17-22-12-6-2-7-13-22/h1-15,24-25H,16-20H2/t24?,25-/m0/s1
InChIKeyPHMPFOFIRNKOSP-BBMPLOMVSA-N
XLogP4.57
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate with MolForge

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Launch Full Analysis

Related Compounds

benzyl (3R)-3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
CID 18658173
benzyl 4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(naphthalen-1-ylmethyl)-4-oxobutanoate
CID 18658183
3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid
CID 22397352
butyl (3S)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-[(4-phenylphenyl)methyl]butanoate
CID 142061099
tert-butyl (3S)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-[(4-phenylphenyl)methyl]butanoate
CID 59061299
benzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate
CID 10764752
tert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[(3-methoxyphenyl)methyl]-4-oxobutanoate
CID 51355179
benzyl 5-[(2S)-2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)butyl]-2-methoxybenzoate
CID 23553060
(2S)-2-benzyl-1-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]pentane-1,4-dione
CID 59100324
(4R)-4-benzyl-3-[(2S)-2-benzyl-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 10545886
(4S)-4-benzyl-3-[(2R)-2-(hydroxymethyl)butanoyl]-1,3-oxazolidin-2-one
CID 10016346
benzyl (2S,3S)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-2-methyl-5-phenylpentanoate
CID 10323107

Frequently Asked Questions

What is the IUPAC name of benzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate?
The IUPAC name of benzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate (CID 70043070) is benzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate.
What is the SMILES notation for benzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate?
The canonical SMILES for benzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate is O=C(CC(Cc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate?
The InChIKey is PHMPFOFIRNKOSP-BBMPLOMVSA-N. The full InChI is InChI=1S/C28H27NO5/c30-26(33-19-23-14-8-3-9-15-23)18-24(16-21-10-4-1-5-11-21)27(31)29-25(20-34-28(29)32)17-22-12-6-2-7-13-22/h1-15,24-25H,16-20H2/t24?,25-/m0/s1.
What are the key properties of benzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate?
benzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate has a molecular weight of 457.53 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate is sourced from PubChem (CID 70043070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).