(2R,4S,5R,6R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptane-1,3-dione

C28H35NO7 — CID 11656222

IUPAC(2R,4S,5R,6R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptane-1,3-dione
SMILESCOc1ccc(COC[C@@H](C)[C@@H](O)[C@H](C)C(=O)[C@@H](C)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1
InChIInChI=1S/C28H35NO7/c1-18(15-35-16-22-10-12-24(34-4)13-11-22)25(30)19(2)26(31)20(3)27(32)29-23(17-36-28(29)33)14-21-8-6-5-7-9-21/h5-13,18-20,23,25,30H,14-17H2,1-4H3/t18-,19+,20-,23-,25-/m1/s1
InChIKeyBITWMKXXPCIGDF-MAMHGHJKSA-N
MW497.59 g/mol
LogP3.64
Rot. Bonds12

About (2R,4S,5R,6R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptane-1,3-dione

(2R,4S,5R,6R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptane-1,3-dione (PubChem CID 11656222) has the molecular formula C28H35NO7 and a molecular weight of 497.59 g/mol. Its IUPAC name is (2R,4S,5R,6R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptane-1,3-dione.

Molecular Properties

Compound Name(2R,4S,5R,6R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptane-1,3-dione
PubChem CID11656222
Molecular FormulaC28H35NO7
Molecular Weight497.59 g/mol
Exact Mass497.24
IUPAC Name(2R,4S,5R,6R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptane-1,3-dione
SMILESCOc1ccc(COC[C@@H](C)[C@@H](O)[C@H](C)C(=O)[C@@H](C)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1
InChIInChI=1S/C28H35NO7/c1-18(15-35-16-22-10-12-24(34-4)13-11-22)25(30)19(2)26(31)20(3)27(32)29-23(17-36-28(29)33)14-21-8-6-5-7-9-21/h5-13,18-20,23,25,30H,14-17H2,1-4H3/t18-,19+,20-,23-,25-/m1/s1
InChIKeyBITWMKXXPCIGDF-MAMHGHJKSA-N
XLogP3.64
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2R,4S,5R,6R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptane-1,3-dione 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,4S,5R,6R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptane-1,3-dione?
The IUPAC name of (2R,4S,5R,6R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptane-1,3-dione (CID 11656222) is (2R,4S,5R,6R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptane-1,3-dione.
What is the SMILES notation for (2R,4S,5R,6R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptane-1,3-dione?
The canonical SMILES for (2R,4S,5R,6R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptane-1,3-dione is COc1ccc(COC[C@@H](C)[C@@H](O)[C@H](C)C(=O)[C@@H](C)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.
What is the InChIKey of (2R,4S,5R,6R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptane-1,3-dione?
The InChIKey is BITWMKXXPCIGDF-MAMHGHJKSA-N. The full InChI is InChI=1S/C28H35NO7/c1-18(15-35-16-22-10-12-24(34-4)13-11-22)25(30)19(2)26(31)20(3)27(32)29-23(17-36-28(29)33)14-21-8-6-5-7-9-21/h5-13,18-20,23,25,30H,14-17H2,1-4H3/t18-,19+,20-,23-,25-/m1/s1.
What are the key properties of (2R,4S,5R,6R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptane-1,3-dione?
(2R,4S,5R,6R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptane-1,3-dione has a molecular weight of 497.59 g/mol, XLogP of 3.64, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R,6R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptane-1,3-dione is sourced from PubChem (CID 11656222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).