3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid

C13H9N3O4S — CID 81440001

IUPAC3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OCc1nc(-c2cccs2)no1
InChIInChI=1S/C13H9N3O4S/c17-13(18)8-3-4-14-6-9(8)19-7-11-15-12(16-20-11)10-2-1-5-21-10/h1-6H,7H2,(H,17,18)
InChIKeyXKSAODYRBSYYPT-UHFFFAOYSA-N
MW303.30 g/mol
LogP2.47
Rot. Bonds5

About 3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid

3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid (PubChem CID 81440001) has the molecular formula C13H9N3O4S and a molecular weight of 303.30 g/mol. Its IUPAC name is 3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid
PubChem CID81440001
Molecular FormulaC13H9N3O4S
Molecular Weight303.30 g/mol
Exact Mass303.03
IUPAC Name3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OCc1nc(-c2cccs2)no1
InChIInChI=1S/C13H9N3O4S/c17-13(18)8-3-4-14-6-9(8)19-7-11-15-12(16-20-11)10-2-1-5-21-10/h1-6H,7H2,(H,17,18)
InChIKeyXKSAODYRBSYYPT-UHFFFAOYSA-N
XLogP2.47
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 18099530
3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid
CID 81445973
(2R)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875022
5-[(2-bromophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 18775782
5-[(2-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718906
5-[(2,3-dichlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 8515424
2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43214779
5-[(2-chloro-4-fluorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9138008
5-[(2-bromo-4-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 8533692
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-methoxy-4-phenylmethoxybenzoate
CID 55356009
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-4-carboxylic acid
CID 81446484
3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054

Frequently Asked Questions

What is the IUPAC name of 3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid (CID 81440001) is 3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid is O=C(O)c1ccncc1OCc1nc(-c2cccs2)no1.
What is the InChIKey of 3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid?
The InChIKey is XKSAODYRBSYYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O4S/c17-13(18)8-3-4-14-6-9(8)19-7-11-15-12(16-20-11)10-2-1-5-21-10/h1-6H,7H2,(H,17,18).
What are the key properties of 3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid?
3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid has a molecular weight of 303.30 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 81440001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).