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

C8H12N2O3 — CID 82125360

IUPAC3-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid
SMILESCCc1nnc(C(C)CC(=O)O)o1
InChIInChI=1S/C8H12N2O3/c1-3-6-9-10-8(13-6)5(2)4-7(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyYEYXOVGBKKANHC-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.21
Rot. Bonds4

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

3-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid (PubChem CID 82125360) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid.

Molecular Properties

Compound Name3-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid
PubChem CID82125360
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid
SMILESCCc1nnc(C(C)CC(=O)O)o1
InChIInChI=1S/C8H12N2O3/c1-3-6-9-10-8(13-6)5(2)4-7(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyYEYXOVGBKKANHC-UHFFFAOYSA-N
XLogP1.21
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid?
The IUPAC name of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid (CID 82125360) is 3-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid.
What is the SMILES notation for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid?
The canonical SMILES for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid is CCc1nnc(C(C)CC(=O)O)o1.
What is the InChIKey of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid?
The InChIKey is YEYXOVGBKKANHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-6-9-10-8(13-6)5(2)4-7(11)12/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid?
3-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid has a molecular weight of 184.19 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid is sourced from PubChem (CID 82125360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).