(4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one

C20H20N2O4 — CID 15012939

IUPAC(4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](Cc2ccccc2)[C@@H]([C@H]2OC(=O)N[C@H]2Cc2ccccc2)O1
InChIInChI=1S/C20H20N2O4/c23-19-21-15(11-13-7-3-1-4-8-13)17(25-19)18-16(22-20(24)26-18)12-14-9-5-2-6-10-14/h1-10,15-18H,11-12H2,(H,21,23)(H,22,24)/t15-,16-,17-,18-/m0/s1
InChIKeyPNQRSXPLZLDQDT-XSLAGTTESA-N
MW352.39 g/mol
LogP2.43
Rot. Bonds5

About (4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one

(4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one (PubChem CID 15012939) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one
PubChem CID15012939
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](Cc2ccccc2)[C@@H]([C@H]2OC(=O)N[C@H]2Cc2ccccc2)O1
InChIInChI=1S/C20H20N2O4/c23-19-21-15(11-13-7-3-1-4-8-13)17(25-19)18-16(22-20(24)26-18)12-14-9-5-2-6-10-14/h1-10,15-18H,11-12H2,(H,21,23)(H,22,24)/t15-,16-,17-,18-/m0/s1
InChIKeyPNQRSXPLZLDQDT-XSLAGTTESA-N
XLogP2.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 14023295
5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115062429
(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboperoxoic acid
CID 59131647
5-[(2S)-2-amino-3-phenylpropyl]-4-benzyl-1,3-oxazolidin-2-one
CID 67959001
(4S,5S)-4-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 158691447
(1S,7R,8S,12S)-8,12-dibenzyl-2,4,6-trioxa-9,11-diazabicyclo[5.5.0]dodecan-10-one
CID 22857227
(4S,5S)-4-benzyl-5-[(E,2S)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one
CID 135027570
4,6-dibenzyl-5-hydroxy-1,3-diazinan-2-one
CID 22088981
(4R)-4-benzyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one
CID 155884904
(4S)-4-benzyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one
CID 121233789
(4R,5R)-4-benzyl-5-[2-iodo-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 66716628
[(4S,5R)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate
CID 101065289

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one (CID 15012939) is (4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one is O=C1N[C@@H](Cc2ccccc2)[C@@H]([C@H]2OC(=O)N[C@H]2Cc2ccccc2)O1.
What is the InChIKey of (4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one?
The InChIKey is PNQRSXPLZLDQDT-XSLAGTTESA-N. The full InChI is InChI=1S/C20H20N2O4/c23-19-21-15(11-13-7-3-1-4-8-13)17(25-19)18-16(22-20(24)26-18)12-14-9-5-2-6-10-14/h1-10,15-18H,11-12H2,(H,21,23)(H,22,24)/t15-,16-,17-,18-/m0/s1.
What are the key properties of (4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one?
(4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one has a molecular weight of 352.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 15012939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).