benzyl N-[(2S)-2-benzyl-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate

C28H28N2O5 — CID 10838182

IUPACbenzyl N-[(2S)-2-benzyl-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)[C@H](CNC(=O)OCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H28N2O5/c1-20-25(23-15-9-4-10-16-23)35-28(33)30(20)26(31)24(17-21-11-5-2-6-12-21)18-29-27(32)34-19-22-13-7-3-8-14-22/h2-16,20,24-25H,17-19H2,1H3,(H,29,32)/t20-,24-,25-/m0/s1
InChIKeyAUCALDOBUGLUGI-OPXMRZJTSA-N
MW472.54 g/mol
LogP4.88
Rot. Bonds8

About benzyl N-[(2S)-2-benzyl-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate

benzyl N-[(2S)-2-benzyl-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate (PubChem CID 10838182) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is benzyl N-[(2S)-2-benzyl-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-2-benzyl-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate
PubChem CID10838182
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC Namebenzyl N-[(2S)-2-benzyl-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)[C@H](CNC(=O)OCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H28N2O5/c1-20-25(23-15-9-4-10-16-23)35-28(33)30(20)26(31)24(17-21-11-5-2-6-12-21)18-29-27(32)34-19-22-13-7-3-8-14-22/h2-16,20,24-25H,17-19H2,1H3,(H,29,32)/t20-,24-,25-/m0/s1
InChIKeyAUCALDOBUGLUGI-OPXMRZJTSA-N
XLogP4.88
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-2-benzyl-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate?
The IUPAC name of benzyl N-[(2S)-2-benzyl-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate (CID 10838182) is benzyl N-[(2S)-2-benzyl-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-2-benzyl-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate?
The canonical SMILES for benzyl N-[(2S)-2-benzyl-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate is C[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)[C@H](CNC(=O)OCc1ccccc1)Cc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-2-benzyl-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate?
The InChIKey is AUCALDOBUGLUGI-OPXMRZJTSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-20-25(23-15-9-4-10-16-23)35-28(33)30(20)26(31)24(17-21-11-5-2-6-12-21)18-29-27(32)34-19-22-13-7-3-8-14-22/h2-16,20,24-25H,17-19H2,1H3,(H,29,32)/t20-,24-,25-/m0/s1.
What are the key properties of benzyl N-[(2S)-2-benzyl-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate?
benzyl N-[(2S)-2-benzyl-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate has a molecular weight of 472.54 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-2-benzyl-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate is sourced from PubChem (CID 10838182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).