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

C7H10N2O3 — CID 82125127

IUPAC3-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid
SMILESCc1nnc(C(C)CC(=O)O)o1
InChIInChI=1S/C7H10N2O3/c1-4(3-6(10)11)7-9-8-5(2)12-7/h4H,3H2,1-2H3,(H,10,11)
InChIKeyDSIOCJPXVYXNOK-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.96
Rot. Bonds3

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

3-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid (PubChem CID 82125127) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid.

Molecular Properties

Compound Name3-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid
PubChem CID82125127
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name3-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid
SMILESCc1nnc(C(C)CC(=O)O)o1
InChIInChI=1S/C7H10N2O3/c1-4(3-6(10)11)7-9-8-5(2)12-7/h4H,3H2,1-2H3,(H,10,11)
InChIKeyDSIOCJPXVYXNOK-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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid?
The IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid (CID 82125127) is 3-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid.
What is the SMILES notation for 3-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid?
The canonical SMILES for 3-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid is Cc1nnc(C(C)CC(=O)O)o1.
What is the InChIKey of 3-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid?
The InChIKey is DSIOCJPXVYXNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4(3-6(10)11)7-9-8-5(2)12-7/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of 3-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid?
3-(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 3-(5-methyl-1,3,4-oxadiazol-2-yl)butanoic acid is sourced from PubChem (CID 82125127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).