1-(2-methoxyphenyl)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]ethane-1,2-dione

C36H30N2O10 — CID 139090872

IUPAC1-(2-methoxyphenyl)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]ethane-1,2-dione
SMILESCOc1ccccc1C(=O)C(=O)N1C(=O)OC[C@H]1c1ccccc1.COc1ccccc1C(=O)C(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/2C18H15NO5/c2*1-23-15-10-6-5-9-13(15)16(20)17(21)19-14(11-24-18(19)22)12-7-3-2-4-8-12/h2*2-10,14H,11H2,1H3/t2*14-/m00/s1
InChIKeyDWTJOOIAGNFARJ-DXZWIFNPSA-N
MW650.64 g/mol
LogP5.20
Rot. Bonds8

About 1-(2-methoxyphenyl)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]ethane-1,2-dione

1-(2-methoxyphenyl)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]ethane-1,2-dione (PubChem CID 139090872) has the molecular formula C36H30N2O10 and a molecular weight of 650.64 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]ethane-1,2-dione
PubChem CID139090872
Molecular FormulaC36H30N2O10
Molecular Weight650.64 g/mol
Exact Mass650.19
IUPAC Name1-(2-methoxyphenyl)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]ethane-1,2-dione
SMILESCOc1ccccc1C(=O)C(=O)N1C(=O)OC[C@H]1c1ccccc1.COc1ccccc1C(=O)C(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/2C18H15NO5/c2*1-23-15-10-6-5-9-13(15)16(20)17(21)19-14(11-24-18(19)22)12-7-3-2-4-8-12/h2*2-10,14H,11H2,1H3/t2*14-/m00/s1
InChIKeyDWTJOOIAGNFARJ-DXZWIFNPSA-N
XLogP5.20
TPSA145.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.64
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]ethane-1,2-dione?
The IUPAC name of 1-(2-methoxyphenyl)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]ethane-1,2-dione (CID 139090872) is 1-(2-methoxyphenyl)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]ethane-1,2-dione?
The canonical SMILES for 1-(2-methoxyphenyl)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]ethane-1,2-dione is COc1ccccc1C(=O)C(=O)N1C(=O)OC[C@H]1c1ccccc1.COc1ccccc1C(=O)C(=O)N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]ethane-1,2-dione?
The InChIKey is DWTJOOIAGNFARJ-DXZWIFNPSA-N. The full InChI is InChI=1S/2C18H15NO5/c2*1-23-15-10-6-5-9-13(15)16(20)17(21)19-14(11-24-18(19)22)12-7-3-2-4-8-12/h2*2-10,14H,11H2,1H3/t2*14-/m00/s1.
What are the key properties of 1-(2-methoxyphenyl)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]ethane-1,2-dione?
1-(2-methoxyphenyl)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]ethane-1,2-dione has a molecular weight of 650.64 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]ethane-1,2-dione is sourced from PubChem (CID 139090872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).