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

C11H11N3O3 — CID 54929432

IUPAC4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid
SMILESO=C(O)CCCc1nnc(-c2ccncc2)o1
InChIInChI=1S/C11H11N3O3/c15-10(16)3-1-2-9-13-14-11(17-9)8-4-6-12-7-5-8/h4-7H,1-3H2,(H,15,16)
InChIKeyYETCXWRAIGSUQT-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.54
Rot. Bonds5

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

4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid (PubChem CID 54929432) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid
PubChem CID54929432
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid
SMILESO=C(O)CCCc1nnc(-c2ccncc2)o1
InChIInChI=1S/C11H11N3O3/c15-10(16)3-1-2-9-13-14-11(17-9)8-4-6-12-7-5-8/h4-7H,1-3H2,(H,15,16)
InChIKeyYETCXWRAIGSUQT-UHFFFAOYSA-N
XLogP1.54
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid?
The IUPAC name of 4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid (CID 54929432) is 4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid.
What is the SMILES notation for 4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid?
The canonical SMILES for 4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid is O=C(O)CCCc1nnc(-c2ccncc2)o1.
What is the InChIKey of 4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid?
The InChIKey is YETCXWRAIGSUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-10(16)3-1-2-9-13-14-11(17-9)8-4-6-12-7-5-8/h4-7H,1-3H2,(H,15,16).
What are the key properties of 4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid?
4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid has a molecular weight of 233.23 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid is sourced from PubChem (CID 54929432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).