dimethyl 3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4,5-dicarboxylate

C19H19NO6 — CID 18474915

IUPACdimethyl 3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4,5-dicarboxylate
SMILESCOC(=O)C1OC(=O)N(C(C)c2cccc3ccccc23)C1C(=O)OC
InChIInChI=1S/C19H19NO6/c1-11(13-10-6-8-12-7-4-5-9-14(12)13)20-15(17(21)24-2)16(18(22)25-3)26-19(20)23/h4-11,15-16H,1-3H3
InChIKeyZNTDINGZCXCGDW-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.44
Rot. Bonds4

About dimethyl 3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4,5-dicarboxylate

dimethyl 3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4,5-dicarboxylate (PubChem CID 18474915) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is dimethyl 3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4,5-dicarboxylate
PubChem CID18474915
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Namedimethyl 3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4,5-dicarboxylate
SMILESCOC(=O)C1OC(=O)N(C(C)c2cccc3ccccc23)C1C(=O)OC
InChIInChI=1S/C19H19NO6/c1-11(13-10-6-8-12-7-4-5-9-14(12)13)20-15(17(21)24-2)16(18(22)25-3)26-19(20)23/h4-11,15-16H,1-3H3
InChIKeyZNTDINGZCXCGDW-UHFFFAOYSA-N
XLogP2.44
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.44
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-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4,5-dicarboxylate (CID 18474915) is dimethyl 3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4,5-dicarboxylate is COC(=O)C1OC(=O)N(C(C)c2cccc3ccccc23)C1C(=O)OC.
What is the InChIKey of dimethyl 3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4,5-dicarboxylate?
The InChIKey is ZNTDINGZCXCGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-11(13-10-6-8-12-7-4-5-9-14(12)13)20-15(17(21)24-2)16(18(22)25-3)26-19(20)23/h4-11,15-16H,1-3H3.
What are the key properties of dimethyl 3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4,5-dicarboxylate?
dimethyl 3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4,5-dicarboxylate has a molecular weight of 357.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4,5-dicarboxylate is sourced from PubChem (CID 18474915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).