2-[(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid

C12H9N3O4S — CID 81147965

IUPAC2-[(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
SMILESO=C(O)COCc1nc(-c2cnc3ccsc3c2)no1
InChIInChI=1S/C12H9N3O4S/c16-11(17)6-18-5-10-14-12(15-19-10)7-3-9-8(13-4-7)1-2-20-9/h1-4H,5-6H2,(H,16,17)
InChIKeyUTXSNUFVRPSKPP-UHFFFAOYSA-N
MW291.29 g/mol
LogP1.95
Rot. Bonds5

About 2-[(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid

2-[(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid (PubChem CID 81147965) has the molecular formula C12H9N3O4S and a molecular weight of 291.29 g/mol. Its IUPAC name is 2-[(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
PubChem CID81147965
Molecular FormulaC12H9N3O4S
Molecular Weight291.29 g/mol
Exact Mass291.03
IUPAC Name2-[(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
SMILESO=C(O)COCc1nc(-c2cnc3ccsc3c2)no1
InChIInChI=1S/C12H9N3O4S/c16-11(17)6-18-5-10-14-12(15-19-10)7-3-9-8(13-4-7)1-2-20-9/h1-4H,5-6H2,(H,16,17)
InChIKeyUTXSNUFVRPSKPP-UHFFFAOYSA-N
XLogP1.95
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methoxy]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

4-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 81143737
1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 81147332
2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 61313489
5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 81147334
2-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
CID 61313488
2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 79720214
(2R)-2-amino-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915885
5-(diethoxymethyl)-3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazole
CID 81146984
3-methyl-4-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butanenitrile
CID 106526020
N-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 81147624
1-cyclopropyl-N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 81147622
N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 81148400

Frequently Asked Questions

What is the IUPAC name of 2-[(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid?
The IUPAC name of 2-[(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid (CID 81147965) is 2-[(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid is O=C(O)COCc1nc(-c2cnc3ccsc3c2)no1.
What is the InChIKey of 2-[(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid?
The InChIKey is UTXSNUFVRPSKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4S/c16-11(17)6-18-5-10-14-12(15-19-10)7-3-9-8(13-4-7)1-2-20-9/h1-4H,5-6H2,(H,16,17).
What are the key properties of 2-[(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid?
2-[(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid has a molecular weight of 291.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid is sourced from PubChem (CID 81147965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).