ethyl 2-(4,5-dimethyl-1,3,4-oxadiazolidin-2-yl)acetate

C8H16N2O3 — CID 137454428

IUPACethyl 2-(4,5-dimethyl-1,3,4-oxadiazolidin-2-yl)acetate
SMILESCCOC(=O)CC1NN(C)C(C)O1
InChIInChI=1S/C8H16N2O3/c1-4-12-8(11)5-7-9-10(3)6(2)13-7/h6-7,9H,4-5H2,1-3H3
InChIKeyGJKNFTBNANNTBR-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.08
Rot. Bonds3

About ethyl 2-(4,5-dimethyl-1,3,4-oxadiazolidin-2-yl)acetate

ethyl 2-(4,5-dimethyl-1,3,4-oxadiazolidin-2-yl)acetate (PubChem CID 137454428) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is ethyl 2-(4,5-dimethyl-1,3,4-oxadiazolidin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4,5-dimethyl-1,3,4-oxadiazolidin-2-yl)acetate
PubChem CID137454428
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nameethyl 2-(4,5-dimethyl-1,3,4-oxadiazolidin-2-yl)acetate
SMILESCCOC(=O)CC1NN(C)C(C)O1
InChIInChI=1S/C8H16N2O3/c1-4-12-8(11)5-7-9-10(3)6(2)13-7/h6-7,9H,4-5H2,1-3H3
InChIKeyGJKNFTBNANNTBR-UHFFFAOYSA-N
XLogP0.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(2-ethoxy-2-oxoethyl)-λ2-stannane
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ethyl 2-[5-(iodomethyl)-4-methyloxolan-2-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5-dimethyl-1,3,4-oxadiazolidin-2-yl)acetate?
The IUPAC name of ethyl 2-(4,5-dimethyl-1,3,4-oxadiazolidin-2-yl)acetate (CID 137454428) is ethyl 2-(4,5-dimethyl-1,3,4-oxadiazolidin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4,5-dimethyl-1,3,4-oxadiazolidin-2-yl)acetate?
The canonical SMILES for ethyl 2-(4,5-dimethyl-1,3,4-oxadiazolidin-2-yl)acetate is CCOC(=O)CC1NN(C)C(C)O1.
What is the InChIKey of ethyl 2-(4,5-dimethyl-1,3,4-oxadiazolidin-2-yl)acetate?
The InChIKey is GJKNFTBNANNTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-4-12-8(11)5-7-9-10(3)6(2)13-7/h6-7,9H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(4,5-dimethyl-1,3,4-oxadiazolidin-2-yl)acetate?
ethyl 2-(4,5-dimethyl-1,3,4-oxadiazolidin-2-yl)acetate has a molecular weight of 188.23 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,5-dimethyl-1,3,4-oxadiazolidin-2-yl)acetate is sourced from PubChem (CID 137454428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).