[5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxo-2-[(4-phenylphenyl)methoxy]propyl]furan-2-yl]methyl acetate

C35H35NO8 — CID 58354394

IUPAC[5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxo-2-[(4-phenylphenyl)methoxy]propyl]furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc([C@H](O)[C@](C)(OCc2ccc(-c3ccccc3)cc2)C(=O)N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)o1
InChIInChI=1S/C35H35NO8/c1-23(37)41-22-28-19-20-29(43-28)31(38)35(4,42-21-24-15-17-26(18-16-24)25-11-7-5-8-12-25)32(39)36-30(27-13-9-6-10-14-27)34(2,3)44-33(36)40/h5-20,30-31,38H,21-22H2,1-4H3/t30-,31-,35-/m0/s1
InChIKeyJTFZAGLRPWFNLO-WQDXIGEJSA-N
MW597.66 g/mol
LogP6.52
Rot. Bonds10

About [5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxo-2-[(4-phenylphenyl)methoxy]propyl]furan-2-yl]methyl acetate

[5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxo-2-[(4-phenylphenyl)methoxy]propyl]furan-2-yl]methyl acetate (PubChem CID 58354394) has the molecular formula C35H35NO8 and a molecular weight of 597.66 g/mol. Its IUPAC name is [5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxo-2-[(4-phenylphenyl)methoxy]propyl]furan-2-yl]methyl acetate.

Molecular Properties

Compound Name[5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxo-2-[(4-phenylphenyl)methoxy]propyl]furan-2-yl]methyl acetate
PubChem CID58354394
Molecular FormulaC35H35NO8
Molecular Weight597.66 g/mol
Exact Mass597.24
IUPAC Name[5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxo-2-[(4-phenylphenyl)methoxy]propyl]furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc([C@H](O)[C@](C)(OCc2ccc(-c3ccccc3)cc2)C(=O)N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)o1
InChIInChI=1S/C35H35NO8/c1-23(37)41-22-28-19-20-29(43-28)31(38)35(4,42-21-24-15-17-26(18-16-24)25-11-7-5-8-12-25)32(39)36-30(27-13-9-6-10-14-27)34(2,3)44-33(36)40/h5-20,30-31,38H,21-22H2,1-4H3/t30-,31-,35-/m0/s1
InChIKeyJTFZAGLRPWFNLO-WQDXIGEJSA-N
XLogP6.52
TPSA115.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.66
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxo-2-[(4-phenylphenyl)methoxy]propyl]furan-2-yl]methyl acetate 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 [5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxo-2-[(4-phenylphenyl)methoxy]propyl]furan-2-yl]methyl acetate?
The IUPAC name of [5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxo-2-[(4-phenylphenyl)methoxy]propyl]furan-2-yl]methyl acetate (CID 58354394) is [5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxo-2-[(4-phenylphenyl)methoxy]propyl]furan-2-yl]methyl acetate.
What is the SMILES notation for [5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxo-2-[(4-phenylphenyl)methoxy]propyl]furan-2-yl]methyl acetate?
The canonical SMILES for [5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxo-2-[(4-phenylphenyl)methoxy]propyl]furan-2-yl]methyl acetate is CC(=O)OCc1ccc([C@H](O)[C@](C)(OCc2ccc(-c3ccccc3)cc2)C(=O)N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)o1.
What is the InChIKey of [5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxo-2-[(4-phenylphenyl)methoxy]propyl]furan-2-yl]methyl acetate?
The InChIKey is JTFZAGLRPWFNLO-WQDXIGEJSA-N. The full InChI is InChI=1S/C35H35NO8/c1-23(37)41-22-28-19-20-29(43-28)31(38)35(4,42-21-24-15-17-26(18-16-24)25-11-7-5-8-12-25)32(39)36-30(27-13-9-6-10-14-27)34(2,3)44-33(36)40/h5-20,30-31,38H,21-22H2,1-4H3/t30-,31-,35-/m0/s1.
What are the key properties of [5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxo-2-[(4-phenylphenyl)methoxy]propyl]furan-2-yl]methyl acetate?
[5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxo-2-[(4-phenylphenyl)methoxy]propyl]furan-2-yl]methyl acetate has a molecular weight of 597.66 g/mol, XLogP of 6.52, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-3-oxo-2-[(4-phenylphenyl)methoxy]propyl]furan-2-yl]methyl acetate is sourced from PubChem (CID 58354394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).