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

C6H8N2O3 — CID 21312980

IUPAC2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetic acid
SMILESCCc1noc(CC(=O)O)n1
InChIInChI=1S/C6H8N2O3/c1-2-4-7-5(11-8-4)3-6(9)10/h2-3H2,1H3,(H,9,10)
InChIKeyDGELMPZMKQFCKF-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.26
Rot. Bonds3

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

2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetic acid (PubChem CID 21312980) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetic acid
PubChem CID21312980
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetic acid
SMILESCCc1noc(CC(=O)O)n1
InChIInChI=1S/C6H8N2O3/c1-2-4-7-5(11-8-4)3-6(9)10/h2-3H2,1H3,(H,9,10)
InChIKeyDGELMPZMKQFCKF-UHFFFAOYSA-N
XLogP0.26
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetic acid?
The IUPAC name of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetic acid (CID 21312980) is 2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetic acid is CCc1noc(CC(=O)O)n1.
What is the InChIKey of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetic acid?
The InChIKey is DGELMPZMKQFCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-2-4-7-5(11-8-4)3-6(9)10/h2-3H2,1H3,(H,9,10).
What are the key properties of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetic acid?
2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetic acid has a molecular weight of 156.14 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetic acid is sourced from PubChem (CID 21312980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).