2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid

C7H10N2O4 — CID 61312305

IUPAC2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
SMILESCCc1noc(COCC(=O)O)n1
InChIInChI=1S/C7H10N2O4/c1-2-5-8-6(13-9-5)3-12-4-7(10)11/h2-4H2,1H3,(H,10,11)
InChIKeyMXROHXRNFGPUBI-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.23
Rot. Bonds5

About 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid

2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid (PubChem CID 61312305) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
PubChem CID61312305
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
SMILESCCc1noc(COCC(=O)O)n1
InChIInChI=1S/C7H10N2O4/c1-2-5-8-6(13-9-5)3-12-4-7(10)11/h2-4H2,1H3,(H,10,11)
InChIKeyMXROHXRNFGPUBI-UHFFFAOYSA-N
XLogP0.23
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid?
The IUPAC name of 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid (CID 61312305) is 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid is CCc1noc(COCC(=O)O)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid?
The InChIKey is MXROHXRNFGPUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-2-5-8-6(13-9-5)3-12-4-7(10)11/h2-4H2,1H3,(H,10,11).
What are the key properties of 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid?
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid has a molecular weight of 186.17 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid is sourced from PubChem (CID 61312305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).