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

C12H13N3O4 — CID 63850151

IUPAC5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-3-carboxylic acid
SMILESCCCc1noc(COc2cncc(C(=O)O)c2)n1
InChIInChI=1S/C12H13N3O4/c1-2-3-10-14-11(19-15-10)7-18-9-4-8(12(16)17)5-13-6-9/h4-6H,2-3,7H2,1H3,(H,16,17)
InChIKeySHMLGGDIQNGJRO-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.69
Rot. Bonds6

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

5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-3-carboxylic acid (PubChem CID 63850151) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-3-carboxylic acid
PubChem CID63850151
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-3-carboxylic acid
SMILESCCCc1noc(COc2cncc(C(=O)O)c2)n1
InChIInChI=1S/C12H13N3O4/c1-2-3-10-14-11(19-15-10)7-18-9-4-8(12(16)17)5-13-6-9/h4-6H,2-3,7H2,1H3,(H,16,17)
InChIKeySHMLGGDIQNGJRO-UHFFFAOYSA-N
XLogP1.69
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methoxy]pyridine-3-carboxylic acid
CID 63850508
5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]pyridine-3-carboxylic acid
CID 63850823
5-butoxypyridine-3-carboxylic acid
CID 63851154
5-hexoxypyridine-3-carboxylic acid
CID 63850317
(2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875109
N-[[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495179
5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carbaldehyde
CID 79794232
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid
CID 61320368
4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid
CID 66439309
5-[2-(diethylamino)-2-oxoethoxy]pyridine-3-carboxylic acid
CID 63851867
4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 61495281
3-fluoro-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 115955982

Frequently Asked Questions

What is the IUPAC name of 5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-3-carboxylic acid (CID 63850151) is 5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-3-carboxylic acid is CCCc1noc(COc2cncc(C(=O)O)c2)n1.
What is the InChIKey of 5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-3-carboxylic acid?
The InChIKey is SHMLGGDIQNGJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-2-3-10-14-11(19-15-10)7-18-9-4-8(12(16)17)5-13-6-9/h4-6H,2-3,7H2,1H3,(H,16,17).
What are the key properties of 5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-3-carboxylic acid?
5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-3-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 63850151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).