ethyl (5R)-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate

C13H11Cl2NO5 — CID 10687981

IUPACethyl (5R)-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate
SMILESCCOC(=O)[C@]1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C13H11Cl2NO5/c1-3-20-11(18)13(2)10(17)16(12(19)21-13)9-5-7(14)4-8(15)6-9/h4-6H,3H2,1-2H3/t13-/m1/s1
InChIKeyIGUYEXXAGBDLLX-CYBMUJFWSA-N
MW332.14 g/mol
LogP2.80
Rot. Bonds3

About ethyl (5R)-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate

ethyl (5R)-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate (PubChem CID 10687981) has the molecular formula C13H11Cl2NO5 and a molecular weight of 332.14 g/mol. Its IUPAC name is ethyl (5R)-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate.

Molecular Properties

Compound Nameethyl (5R)-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate
PubChem CID10687981
Molecular FormulaC13H11Cl2NO5
Molecular Weight332.14 g/mol
Exact Mass331.00
IUPAC Nameethyl (5R)-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate
SMILESCCOC(=O)[C@]1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C13H11Cl2NO5/c1-3-20-11(18)13(2)10(17)16(12(19)21-13)9-5-7(14)4-8(15)6-9/h4-6H,3H2,1-2H3/t13-/m1/s1
InChIKeyIGUYEXXAGBDLLX-CYBMUJFWSA-N
XLogP2.80
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 ethyl (5R)-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate?
The IUPAC name of ethyl (5R)-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate (CID 10687981) is ethyl (5R)-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate.
What is the SMILES notation for ethyl (5R)-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate?
The canonical SMILES for ethyl (5R)-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate is CCOC(=O)[C@]1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O.
What is the InChIKey of ethyl (5R)-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate?
The InChIKey is IGUYEXXAGBDLLX-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H11Cl2NO5/c1-3-20-11(18)13(2)10(17)16(12(19)21-13)9-5-7(14)4-8(15)6-9/h4-6H,3H2,1-2H3/t13-/m1/s1.
What are the key properties of ethyl (5R)-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate?
ethyl (5R)-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate has a molecular weight of 332.14 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate is sourced from PubChem (CID 10687981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).