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

C10H9N3O3 — CID 3159643

IUPAC3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
SMILESO=C(O)CCc1nc(-c2cccnc2)no1
InChIInChI=1S/C10H9N3O3/c14-9(15)4-3-8-12-10(13-16-8)7-2-1-5-11-6-7/h1-2,5-6H,3-4H2,(H,14,15)
InChIKeyXFXBCTUNCOJZGA-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.15
Rot. Bonds4

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

3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid (PubChem CID 3159643) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
PubChem CID3159643
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
SMILESO=C(O)CCc1nc(-c2cccnc2)no1
InChIInChI=1S/C10H9N3O3/c14-9(15)4-3-8-12-10(13-16-8)7-2-1-5-11-6-7/h1-2,5-6H,3-4H2,(H,14,15)
InChIKeyXFXBCTUNCOJZGA-UHFFFAOYSA-N
XLogP1.15
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-[3-[3-[5-(2-carboxyethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 102054948
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874
2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid
CID 112683746
N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46471626
N-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 53047532
N-(4-acetylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 16765512
4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 51233758
N-(2-phenylpropyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 42957633
N-(2-phenoxyphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100763240
N-[4-(methylcarbamoylamino)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55626773
1,1-difluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 55203346
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid?
The IUPAC name of 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid (CID 3159643) is 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid?
The canonical SMILES for 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid is O=C(O)CCc1nc(-c2cccnc2)no1.
What is the InChIKey of 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid?
The InChIKey is XFXBCTUNCOJZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-9(15)4-3-8-12-10(13-16-8)7-2-1-5-11-6-7/h1-2,5-6H,3-4H2,(H,14,15).
What are the key properties of 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid?
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid has a molecular weight of 219.20 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid is sourced from PubChem (CID 3159643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).