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

C7H10N2O3 — CID 139369462

IUPAC2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid
SMILESCCC(C(=O)O)c1nnc(C)o1
InChIInChI=1S/C7H10N2O3/c1-3-5(7(10)11)6-9-8-4(2)12-6/h5H,3H2,1-2H3,(H,10,11)
InChIKeyOKBDDDCJBWQJMP-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.96
Rot. Bonds3

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

2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid (PubChem CID 139369462) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid
PubChem CID139369462
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid
SMILESCCC(C(=O)O)c1nnc(C)o1
InChIInChI=1S/C7H10N2O3/c1-3-5(7(10)11)6-9-8-4(2)12-6/h5H,3H2,1-2H3,(H,10,11)
InChIKeyOKBDDDCJBWQJMP-UHFFFAOYSA-N
XLogP0.96
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid?
The IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid (CID 139369462) is 2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid.
What is the SMILES notation for 2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid?
The canonical SMILES for 2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid is CCC(C(=O)O)c1nnc(C)o1.
What is the InChIKey of 2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid?
The InChIKey is OKBDDDCJBWQJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-3-5(7(10)11)6-9-8-4(2)12-6/h5H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid?
2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid has a molecular weight of 170.17 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid is sourced from PubChem (CID 139369462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).