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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Related Compounds

5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid
CID 68687376
2-[[3-[4-[[5-(Trifluoromethyl)-3-pyridinyl]oxy]phenyl]-1,2,4-oxadiazol-5-yl]methyl]prop-2-enoic acid
CID 170637027
2-[[3-[4-[(5-Fluoro-3-pyridinyl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]methyl]prop-2-enoic acid
CID 170637170
N,N,N'-trimethyl-N'-{5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}-1,2-ethanediamine
CID 29256468
6-((3-Methyl-1,2,4-oxadiazol-5-yl)methoxy)pyridine-3-carboxylic acid
CID 137838437
5-[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 99851647
5-(2-Butan-2-yloxypyridin-4-yl)-3-(oxolan-2-yl)-1,2,4-oxadiazole
CID 136531276
5-[3-[4-(5-Fluoro-2-methylphenoxy)cyclohexyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carboxylic acid
CID 59139757
5-Fluoro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-3-carboxylic acid
CID 117898656
6-Amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid
CID 118868326
6-Amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 122439060
6-Amino-5-[[4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methoxy]pyridine-3-carboxylic acid
CID 122439085

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).