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

C9H7N3O3S — CID 62955994

IUPAC2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)sulfanyl]acetic acid
SMILESO=C(O)CSc1nc(-c2cccnc2)no1
InChIInChI=1S/C9H7N3O3S/c13-7(14)5-16-9-11-8(12-15-9)6-2-1-3-10-4-6/h1-4H,5H2,(H,13,14)
InChIKeyQRZFAZFERDAIDL-UHFFFAOYSA-N
MW237.24 g/mol
LogP1.31
Rot. Bonds4

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

2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)sulfanyl]acetic acid (PubChem CID 62955994) has the molecular formula C9H7N3O3S and a molecular weight of 237.24 g/mol. Its IUPAC name is 2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)sulfanyl]acetic acid
PubChem CID62955994
Molecular FormulaC9H7N3O3S
Molecular Weight237.24 g/mol
Exact Mass237.02
IUPAC Name2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)sulfanyl]acetic acid
SMILESO=C(O)CSc1nc(-c2cccnc2)no1
InChIInChI=1S/C9H7N3O3S/c13-7(14)5-16-9-11-8(12-15-9)6-2-1-3-10-4-6/h1-4H,5H2,(H,13,14)
InChIKeyQRZFAZFERDAIDL-UHFFFAOYSA-N
XLogP1.31
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetic acid
CID 112683746
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 21403822
2-[[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 62957229
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanylacetic acid
CID 94077060
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874
2-[[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 114331132
2-[[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 106951269
2-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)sulfanyl]acetic acid
CID 63222572
2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 79717791
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 15987644
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)sulfanyl]acetic acid (CID 62955994) is 2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)sulfanyl]acetic acid is O=C(O)CSc1nc(-c2cccnc2)no1.
What is the InChIKey of 2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)sulfanyl]acetic acid?
The InChIKey is QRZFAZFERDAIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3S/c13-7(14)5-16-9-11-8(12-15-9)6-2-1-3-10-4-6/h1-4H,5H2,(H,13,14).
What are the key properties of 2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)sulfanyl]acetic acid?
2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)sulfanyl]acetic acid has a molecular weight of 237.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)sulfanyl]acetic acid is sourced from PubChem (CID 62955994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).