[(2R,4R)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2,4-dimethyl-7-oxoheptyl] benzoate

C26H31NO5 — CID 53381018

IUPAC[(2R,4R)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2,4-dimethyl-7-oxoheptyl] benzoate
SMILESC[C@H](CCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C[C@@H](C)COC(=O)c1ccccc1
InChIInChI=1S/C26H31NO5/c1-19(15-20(2)17-31-25(29)22-11-7-4-8-12-22)13-14-24(28)27-23(18-32-26(27)30)16-21-9-5-3-6-10-21/h3-12,19-20,23H,13-18H2,1-2H3/t19-,20-,23+/m1/s1
InChIKeyAKNNIAFWMNGLPQ-VIZSFHNOSA-N
MW437.54 g/mol
LogP4.88
Rot. Bonds10

About [(2R,4R)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2,4-dimethyl-7-oxoheptyl] benzoate

[(2R,4R)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2,4-dimethyl-7-oxoheptyl] benzoate (PubChem CID 53381018) has the molecular formula C26H31NO5 and a molecular weight of 437.54 g/mol. Its IUPAC name is [(2R,4R)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2,4-dimethyl-7-oxoheptyl] benzoate.

Molecular Properties

Compound Name[(2R,4R)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2,4-dimethyl-7-oxoheptyl] benzoate
PubChem CID53381018
Molecular FormulaC26H31NO5
Molecular Weight437.54 g/mol
Exact Mass437.22
IUPAC Name[(2R,4R)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2,4-dimethyl-7-oxoheptyl] benzoate
SMILESC[C@H](CCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C[C@@H](C)COC(=O)c1ccccc1
InChIInChI=1S/C26H31NO5/c1-19(15-20(2)17-31-25(29)22-11-7-4-8-12-22)13-14-24(28)27-23(18-32-26(27)30)16-21-9-5-3-6-10-21/h3-12,19-20,23H,13-18H2,1-2H3/t19-,20-,23+/m1/s1
InChIKeyAKNNIAFWMNGLPQ-VIZSFHNOSA-N
XLogP4.88
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R,4R)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2,4-dimethyl-7-oxoheptyl] benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2,4-dimethyl-7-oxoheptyl] benzoate?
The IUPAC name of [(2R,4R)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2,4-dimethyl-7-oxoheptyl] benzoate (CID 53381018) is [(2R,4R)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2,4-dimethyl-7-oxoheptyl] benzoate.
What is the SMILES notation for [(2R,4R)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2,4-dimethyl-7-oxoheptyl] benzoate?
The canonical SMILES for [(2R,4R)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2,4-dimethyl-7-oxoheptyl] benzoate is C[C@H](CCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C[C@@H](C)COC(=O)c1ccccc1.
What is the InChIKey of [(2R,4R)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2,4-dimethyl-7-oxoheptyl] benzoate?
The InChIKey is AKNNIAFWMNGLPQ-VIZSFHNOSA-N. The full InChI is InChI=1S/C26H31NO5/c1-19(15-20(2)17-31-25(29)22-11-7-4-8-12-22)13-14-24(28)27-23(18-32-26(27)30)16-21-9-5-3-6-10-21/h3-12,19-20,23H,13-18H2,1-2H3/t19-,20-,23+/m1/s1.
What are the key properties of [(2R,4R)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2,4-dimethyl-7-oxoheptyl] benzoate?
[(2R,4R)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2,4-dimethyl-7-oxoheptyl] benzoate has a molecular weight of 437.54 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2,4-dimethyl-7-oxoheptyl] benzoate is sourced from PubChem (CID 53381018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).