[(2R)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-5-oxopentyl] benzoate

C23H25NO5 — CID 11440843

IUPAC[(2R)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-5-oxopentyl] benzoate
SMILESC[C@H](CCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)COC(=O)c1ccccc1
InChIInChI=1S/C23H25NO5/c1-17(15-28-22(26)19-10-6-3-7-11-19)12-13-21(25)24-20(16-29-23(24)27)14-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3/t17-,20+/m1/s1
InChIKeyARORWNDBWPZWOS-XLIONFOSSA-N
MW395.46 g/mol
LogP3.85
Rot. Bonds8

About [(2R)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-5-oxopentyl] benzoate

[(2R)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-5-oxopentyl] benzoate (PubChem CID 11440843) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is [(2R)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-5-oxopentyl] benzoate.

Molecular Properties

Compound Name[(2R)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-5-oxopentyl] benzoate
PubChem CID11440843
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name[(2R)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-5-oxopentyl] benzoate
SMILESC[C@H](CCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)COC(=O)c1ccccc1
InChIInChI=1S/C23H25NO5/c1-17(15-28-22(26)19-10-6-3-7-11-19)12-13-21(25)24-20(16-29-23(24)27)14-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3/t17-,20+/m1/s1
InChIKeyARORWNDBWPZWOS-XLIONFOSSA-N
XLogP3.85
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-5-oxopentyl] benzoate with MolForge

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Related Compounds

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CID 32331
(+)-Benzyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate
CID 46866293
Methyl 4-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]oxymethyl]benzoate
CID 16284294
Benzyl 1-acetyl-2-(cyclohexylmethyl)pyrrolidine-2-carboxylate
CID 46884563
Benzyl 1-acetyl-2-(4-methylbenzyl)pyrrolidine-2-carboxylate
CID 46884615
Benzyl 1-acetyl-2-(4-fluorobenzyl)pyrrolidine-2-carboxylate
CID 46884646
2-Benzyl 1-methyl 2-benzylpyrrolidine-1,2-dicarboxylate
CID 46884738
Benzyl 2-benzyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate
CID 46884741
4-Methylbenzyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate
CID 46884870
benzyl (2R)-1-acetyl-2-benzylpyrrolidine-2-carboxylate
CID 70683687
Benzoic acid [(2S)-1-methylpyrrolidine-2-yl]methyl ester
CID 73351944
2-(1,3-Dioxoisoindolin-2-yl)ethyl benzoate
CID 711247

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-5-oxopentyl] benzoate?
The IUPAC name of [(2R)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-5-oxopentyl] benzoate (CID 11440843) is [(2R)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-5-oxopentyl] benzoate.
What is the SMILES notation for [(2R)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-5-oxopentyl] benzoate?
The canonical SMILES for [(2R)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-5-oxopentyl] benzoate is C[C@H](CCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)COC(=O)c1ccccc1.
What is the InChIKey of [(2R)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-5-oxopentyl] benzoate?
The InChIKey is ARORWNDBWPZWOS-XLIONFOSSA-N. The full InChI is InChI=1S/C23H25NO5/c1-17(15-28-22(26)19-10-6-3-7-11-19)12-13-21(25)24-20(16-29-23(24)27)14-18-8-4-2-5-9-18/h2-11,17,20H,12-16H2,1H3/t17-,20+/m1/s1.
What are the key properties of [(2R)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-5-oxopentyl] benzoate?
[(2R)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-5-oxopentyl] benzoate has a molecular weight of 395.46 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-5-oxopentyl] benzoate is sourced from PubChem (CID 11440843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).