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

C7H10N2O3 — CID 50988005

IUPACethyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate
SMILESCCOC(=O)Cc1nc(C)no1
InChIInChI=1S/C7H10N2O3/c1-3-11-7(10)4-6-8-5(2)9-12-6/h3-4H2,1-2H3
InChIKeyJHHMWBAJEQAUSH-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.48
Rot. Bonds3

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

ethyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate (PubChem CID 50988005) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is ethyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate
PubChem CID50988005
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Nameethyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate
SMILESCCOC(=O)Cc1nc(C)no1
InChIInChI=1S/C7H10N2O3/c1-3-11-7(10)4-6-8-5(2)9-12-6/h3-4H2,1-2H3
InChIKeyJHHMWBAJEQAUSH-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 ethyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate?
The IUPAC name of ethyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate (CID 50988005) is ethyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate is CCOC(=O)Cc1nc(C)no1.
What is the InChIKey of ethyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate?
The InChIKey is JHHMWBAJEQAUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-3-11-7(10)4-6-8-5(2)9-12-6/h3-4H2,1-2H3.
What are the key properties of ethyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate?
ethyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)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 ethyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)acetate is sourced from PubChem (CID 50988005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).