3-(3-chloro-2-methoxyphenyl)-5-ethoxy-1,3,4-oxadiazolidin-2-one

C11H13ClN2O4 — CID 70621997

IUPAC3-(3-chloro-2-methoxyphenyl)-5-ethoxy-1,3,4-oxadiazolidin-2-one
SMILESCCOC1NN(c2cccc(Cl)c2OC)C(=O)O1
InChIInChI=1S/C11H13ClN2O4/c1-3-17-10-13-14(11(15)18-10)8-6-4-5-7(12)9(8)16-2/h4-6,10,13H,3H2,1-2H3
InChIKeyJFRXZBJTNZVDDK-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.13
Rot. Bonds4

About 3-(3-chloro-2-methoxyphenyl)-5-ethoxy-1,3,4-oxadiazolidin-2-one

3-(3-chloro-2-methoxyphenyl)-5-ethoxy-1,3,4-oxadiazolidin-2-one (PubChem CID 70621997) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is 3-(3-chloro-2-methoxyphenyl)-5-ethoxy-1,3,4-oxadiazolidin-2-one.

Molecular Properties

Compound Name3-(3-chloro-2-methoxyphenyl)-5-ethoxy-1,3,4-oxadiazolidin-2-one
PubChem CID70621997
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Name3-(3-chloro-2-methoxyphenyl)-5-ethoxy-1,3,4-oxadiazolidin-2-one
SMILESCCOC1NN(c2cccc(Cl)c2OC)C(=O)O1
InChIInChI=1S/C11H13ClN2O4/c1-3-17-10-13-14(11(15)18-10)8-6-4-5-7(12)9(8)16-2/h4-6,10,13H,3H2,1-2H3
InChIKeyJFRXZBJTNZVDDK-UHFFFAOYSA-N
XLogP2.13
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methoxyphenyl)-5-ethoxy-1,3,4-oxadiazolidin-2-one?
The IUPAC name of 3-(3-chloro-2-methoxyphenyl)-5-ethoxy-1,3,4-oxadiazolidin-2-one (CID 70621997) is 3-(3-chloro-2-methoxyphenyl)-5-ethoxy-1,3,4-oxadiazolidin-2-one.
What is the SMILES notation for 3-(3-chloro-2-methoxyphenyl)-5-ethoxy-1,3,4-oxadiazolidin-2-one?
The canonical SMILES for 3-(3-chloro-2-methoxyphenyl)-5-ethoxy-1,3,4-oxadiazolidin-2-one is CCOC1NN(c2cccc(Cl)c2OC)C(=O)O1.
What is the InChIKey of 3-(3-chloro-2-methoxyphenyl)-5-ethoxy-1,3,4-oxadiazolidin-2-one?
The InChIKey is JFRXZBJTNZVDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-3-17-10-13-14(11(15)18-10)8-6-4-5-7(12)9(8)16-2/h4-6,10,13H,3H2,1-2H3.
What are the key properties of 3-(3-chloro-2-methoxyphenyl)-5-ethoxy-1,3,4-oxadiazolidin-2-one?
3-(3-chloro-2-methoxyphenyl)-5-ethoxy-1,3,4-oxadiazolidin-2-one has a molecular weight of 272.69 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methoxyphenyl)-5-ethoxy-1,3,4-oxadiazolidin-2-one is sourced from PubChem (CID 70621997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).