dimethyl 3-benzhydryl-2-oxo-1,3-oxazolidine-4,5-dicarboxylate

C20H19NO6 — CID 18474968

IUPACdimethyl 3-benzhydryl-2-oxo-1,3-oxazolidine-4,5-dicarboxylate
SMILESCOC(=O)C1OC(=O)N(C(c2ccccc2)c2ccccc2)C1C(=O)OC
InChIInChI=1S/C20H19NO6/c1-25-18(22)16-17(19(23)26-2)27-20(24)21(16)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15-17H,1-2H3
InChIKeyLLXSBVGJVJTVGQ-UHFFFAOYSA-N
MW369.37 g/mol
LogP2.31
Rot. Bonds5

About dimethyl 3-benzhydryl-2-oxo-1,3-oxazolidine-4,5-dicarboxylate

dimethyl 3-benzhydryl-2-oxo-1,3-oxazolidine-4,5-dicarboxylate (PubChem CID 18474968) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is dimethyl 3-benzhydryl-2-oxo-1,3-oxazolidine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-benzhydryl-2-oxo-1,3-oxazolidine-4,5-dicarboxylate
PubChem CID18474968
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Namedimethyl 3-benzhydryl-2-oxo-1,3-oxazolidine-4,5-dicarboxylate
SMILESCOC(=O)C1OC(=O)N(C(c2ccccc2)c2ccccc2)C1C(=O)OC
InChIInChI=1S/C20H19NO6/c1-25-18(22)16-17(19(23)26-2)27-20(24)21(16)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15-17H,1-2H3
InChIKeyLLXSBVGJVJTVGQ-UHFFFAOYSA-N
XLogP2.31
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-benzhydryl-2-oxo-1,3-oxazolidine-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-benzhydryl-2-oxo-1,3-oxazolidine-4,5-dicarboxylate (CID 18474968) is dimethyl 3-benzhydryl-2-oxo-1,3-oxazolidine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-benzhydryl-2-oxo-1,3-oxazolidine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-benzhydryl-2-oxo-1,3-oxazolidine-4,5-dicarboxylate is COC(=O)C1OC(=O)N(C(c2ccccc2)c2ccccc2)C1C(=O)OC.
What is the InChIKey of dimethyl 3-benzhydryl-2-oxo-1,3-oxazolidine-4,5-dicarboxylate?
The InChIKey is LLXSBVGJVJTVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-25-18(22)16-17(19(23)26-2)27-20(24)21(16)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15-17H,1-2H3.
What are the key properties of dimethyl 3-benzhydryl-2-oxo-1,3-oxazolidine-4,5-dicarboxylate?
dimethyl 3-benzhydryl-2-oxo-1,3-oxazolidine-4,5-dicarboxylate has a molecular weight of 369.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-benzhydryl-2-oxo-1,3-oxazolidine-4,5-dicarboxylate is sourced from PubChem (CID 18474968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).