dimethyl 3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate

C20H21NO5 — CID 15188842

IUPACdimethyl 3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C(c2ccccc2)OC(c2ccccc2)N1C
InChIInChI=1S/C20H21NO5/c1-21-17(15-12-8-5-9-13-15)26-16(14-10-6-4-7-11-14)20(21,18(22)24-2)19(23)25-3/h4-13,16-17H,1-3H3
InChIKeyBIWHXTCPVDYCQE-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.47
Rot. Bonds4

About dimethyl 3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate

dimethyl 3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate (PubChem CID 15188842) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is dimethyl 3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate
PubChem CID15188842
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Namedimethyl 3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C(c2ccccc2)OC(c2ccccc2)N1C
InChIInChI=1S/C20H21NO5/c1-21-17(15-12-8-5-9-13-15)26-16(14-10-6-4-7-11-14)20(21,18(22)24-2)19(23)25-3/h4-13,16-17H,1-3H3
InChIKeyBIWHXTCPVDYCQE-UHFFFAOYSA-N
XLogP2.47
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate?
The IUPAC name of dimethyl 3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate (CID 15188842) is dimethyl 3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate?
The canonical SMILES for dimethyl 3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate is COC(=O)C1(C(=O)OC)C(c2ccccc2)OC(c2ccccc2)N1C.
What is the InChIKey of dimethyl 3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate?
The InChIKey is BIWHXTCPVDYCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-21-17(15-12-8-5-9-13-15)26-16(14-10-6-4-7-11-14)20(21,18(22)24-2)19(23)25-3/h4-13,16-17H,1-3H3.
What are the key properties of dimethyl 3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate?
dimethyl 3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate has a molecular weight of 355.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate is sourced from PubChem (CID 15188842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).