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

C10H9N3O3S — CID 1467896

IUPAC3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid
SMILESO=C(O)CCSc1nnc(-c2ccccn2)o1
InChIInChI=1S/C10H9N3O3S/c14-8(15)4-6-17-10-13-12-9(16-10)7-3-1-2-5-11-7/h1-3,5H,4,6H2,(H,14,15)
InChIKeyNZDBDLRAAXAFFX-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.70
Rot. Bonds5

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

3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid (PubChem CID 1467896) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is 3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid.

Molecular Properties

Compound Name3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid
PubChem CID1467896
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid
SMILESO=C(O)CCSc1nnc(-c2ccccn2)o1
InChIInChI=1S/C10H9N3O3S/c14-8(15)4-6-17-10-13-12-9(16-10)7-3-1-2-5-11-7/h1-3,5H,4,6H2,(H,14,15)
InChIKeyNZDBDLRAAXAFFX-UHFFFAOYSA-N
XLogP1.70
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]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

1-morpholin-4-yl-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
CID 3955284
O-[2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]hydroxylamine
CID 139680379
N-(3-methylphenyl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 3976039
3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 861511
2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 3982393
2-prop-2-ynylsulfanyl-5-pyridin-2-yl-1,3,4-oxadiazole
CID 3420918
5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 54929886
3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 9484094
N-(2-benzoylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3423193
1-(3,5-dimethylpiperidin-1-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 3917383
2-phenylsulfanyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 16823760
1-phenyl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-1-one
CID 29310891

Frequently Asked Questions

What is the IUPAC name of 3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid?
The IUPAC name of 3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid (CID 1467896) is 3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid.
What is the SMILES notation for 3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid?
The canonical SMILES for 3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid is O=C(O)CCSc1nnc(-c2ccccn2)o1.
What is the InChIKey of 3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid?
The InChIKey is NZDBDLRAAXAFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c14-8(15)4-6-17-10-13-12-9(16-10)7-3-1-2-5-11-7/h1-3,5H,4,6H2,(H,14,15).
What are the key properties of 3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid?
3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid has a molecular weight of 251.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid is sourced from PubChem (CID 1467896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).