3-(1,3-oxazol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid

C11H6N2O3S — CID 139653272

IUPAC3-(1,3-oxazol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2ncccc2c1-c1ncco1
InChIInChI=1S/C11H6N2O3S/c14-11(15)8-7(9-12-4-5-16-9)6-2-1-3-13-10(6)17-8/h1-5H,(H,14,15)
InChIKeyPSKXGRVUDJEBHY-UHFFFAOYSA-N
MW246.25 g/mol
LogP2.65
Rot. Bonds2

About 3-(1,3-oxazol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid

3-(1,3-oxazol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 139653272) has the molecular formula C11H6N2O3S and a molecular weight of 246.25 g/mol. Its IUPAC name is 3-(1,3-oxazol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-oxazol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID139653272
Molecular FormulaC11H6N2O3S
Molecular Weight246.25 g/mol
Exact Mass246.01
IUPAC Name3-(1,3-oxazol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2ncccc2c1-c1ncco1
InChIInChI=1S/C11H6N2O3S/c14-11(15)8-7(9-12-4-5-16-9)6-2-1-3-13-10(6)17-8/h1-5H,(H,14,15)
InChIKeyPSKXGRVUDJEBHY-UHFFFAOYSA-N
XLogP2.65
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-Fluoro-2-methyl-3-[4-(1,3-oxazol-2-yl)phenyl]sulfanylindolizin-1-yl]acetic acid
CID 24991525
2-(4-Methylthieno[2,3-c]pyridin-2-yl)-1,3-oxazole
CID 59117114
2-[4-hydroxy-3-methyl-2-(1,3-oxazol-2-yl)-6-oxo-7-[(2R)-2-phenyl-2-propan-2-yloxyethyl]thieno[2,3-b]pyridin-5-yl]-2-methylpropanoic acid
CID 123221284
2-[4-hydroxy-3-methyl-2-(1,3-oxazol-2-yl)-6-oxo-7-[(2S)-2-phenyl-2-propan-2-yloxyethyl]thieno[2,3-b]pyridin-5-yl]-2-methylpropanoic acid
CID 123771034
3-(Furan-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 139653261
2-(4-carboxy-2-pyridinyl)-6-[4-[3-(1,3-oxazol-2-yl)-1-benzothiophen-2-yl]-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid
CID 163968808
[4-Ethyl-7-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-e][1,3,2,4]dioxadiazin-2-yl] benzoate
CID 175909195
3-(1,3-Oxazol-2-yl)pyridine-2-carboxylic acid;2-phenyl-1,3-thiazole
CID 176108855
2-Furo[2,3-b]pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 82384640

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-(1,3-oxazol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid (CID 139653272) is 3-(1,3-oxazol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(1,3-oxazol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(1,3-oxazol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1sc2ncccc2c1-c1ncco1.
What is the InChIKey of 3-(1,3-oxazol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is PSKXGRVUDJEBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O3S/c14-11(15)8-7(9-12-4-5-16-9)6-2-1-3-13-10(6)17-8/h1-5H,(H,14,15).
What are the key properties of 3-(1,3-oxazol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid?
3-(1,3-oxazol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 246.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-oxazol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 139653272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).