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

C8H12N2O3 — CID 10773832

IUPACethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoate
SMILESCCOC(=O)C(C)c1noc(C)n1
InChIInChI=1S/C8H12N2O3/c1-4-12-8(11)5(2)7-9-6(3)13-10-7/h5H,4H2,1-3H3
InChIKeyFIFXURXRZLJLIM-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.04
Rot. Bonds3

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

ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoate (PubChem CID 10773832) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoate
PubChem CID10773832
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Nameethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoate
SMILESCCOC(=O)C(C)c1noc(C)n1
InChIInChI=1S/C8H12N2O3/c1-4-12-8(11)5(2)7-9-6(3)13-10-7/h5H,4H2,1-3H3
InChIKeyFIFXURXRZLJLIM-UHFFFAOYSA-N
XLogP1.04
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoate?
The IUPAC name of ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoate (CID 10773832) is ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoate.
What is the SMILES notation for ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoate?
The canonical SMILES for ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoate is CCOC(=O)C(C)c1noc(C)n1.
What is the InChIKey of ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoate?
The InChIKey is FIFXURXRZLJLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-4-12-8(11)5(2)7-9-6(3)13-10-7/h5H,4H2,1-3H3.
What are the key properties of ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoate?
ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoate has a molecular weight of 184.19 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)propanoate is sourced from PubChem (CID 10773832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).