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

C13H15N3O4 — CID 63850508

IUPAC5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methoxy]pyridine-3-carboxylic acid
SMILESCC(C)Cc1nc(COc2cncc(C(=O)O)c2)no1
InChIInChI=1S/C13H15N3O4/c1-8(2)3-12-15-11(16-20-12)7-19-10-4-9(13(17)18)5-14-6-10/h4-6,8H,3,7H2,1-2H3,(H,17,18)
InChIKeySZNKXIXOUZICCD-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.94
Rot. Bonds6

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

5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methoxy]pyridine-3-carboxylic acid (PubChem CID 63850508) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methoxy]pyridine-3-carboxylic acid
PubChem CID63850508
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methoxy]pyridine-3-carboxylic acid
SMILESCC(C)Cc1nc(COc2cncc(C(=O)O)c2)no1
InChIInChI=1S/C13H15N3O4/c1-8(2)3-12-15-11(16-20-12)7-19-10-4-9(13(17)18)5-14-6-10/h4-6,8H,3,7H2,1-2H3,(H,17,18)
InChIKeySZNKXIXOUZICCD-UHFFFAOYSA-N
XLogP1.94
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methoxy]pyridine-3-carboxylic acid (CID 63850508) is 5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methoxy]pyridine-3-carboxylic acid is CC(C)Cc1nc(COc2cncc(C(=O)O)c2)no1.
What is the InChIKey of 5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methoxy]pyridine-3-carboxylic acid?
The InChIKey is SZNKXIXOUZICCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-8(2)3-12-15-11(16-20-12)7-19-10-4-9(13(17)18)5-14-6-10/h4-6,8H,3,7H2,1-2H3,(H,17,18).
What are the key properties of 5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methoxy]pyridine-3-carboxylic acid?
5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methoxy]pyridine-3-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 63850508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).