2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl acetate

C7H10N2O3 — CID 54002024

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl acetate
SMILESCC(=O)OCCc1noc(C)n1
InChIInChI=1S/C7H10N2O3/c1-5-8-7(9-12-5)3-4-11-6(2)10/h3-4H2,1-2H3
InChIKeyKMGSDXYTQXNDCK-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.48
Rot. Bonds3

About 2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl acetate

2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl acetate (PubChem CID 54002024) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl acetate.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl acetate
PubChem CID54002024
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl acetate
SMILESCC(=O)OCCc1noc(C)n1
InChIInChI=1S/C7H10N2O3/c1-5-8-7(9-12-5)3-4-11-6(2)10/h3-4H2,1-2H3
InChIKeyKMGSDXYTQXNDCK-UHFFFAOYSA-N
XLogP0.48
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl acetate?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl acetate (CID 54002024) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl acetate.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl acetate?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl acetate is CC(=O)OCCc1noc(C)n1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl acetate?
The InChIKey is KMGSDXYTQXNDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5-8-7(9-12-5)3-4-11-6(2)10/h3-4H2,1-2H3.
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl acetate?
2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl acetate has a molecular weight of 170.17 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl acetate is sourced from PubChem (CID 54002024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).