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

C12H13N3O4 — CID 79794069

IUPAC5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-2-carboxylic acid
SMILESCC(C)c1nc(COc2ccc(C(=O)O)nc2)no1
InChIInChI=1S/C12H13N3O4/c1-7(2)11-14-10(15-19-11)6-18-8-3-4-9(12(16)17)13-5-8/h3-5,7H,6H2,1-2H3,(H,16,17)
InChIKeyQWSCEOANFCLGBV-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.87
Rot. Bonds5

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

5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-2-carboxylic acid (PubChem CID 79794069) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-2-carboxylic acid
PubChem CID79794069
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-2-carboxylic acid
SMILESCC(C)c1nc(COc2ccc(C(=O)O)nc2)no1
InChIInChI=1S/C12H13N3O4/c1-7(2)11-14-10(15-19-11)6-18-8-3-4-9(12(16)17)13-5-8/h3-5,7H,6H2,1-2H3,(H,16,17)
InChIKeyQWSCEOANFCLGBV-UHFFFAOYSA-N
XLogP1.87
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-2-carboxylic acid with MolForge

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Related Compounds

5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 63362147
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 78930415
ethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 63862752
3,5-dibromo-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 107738711
5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid
CID 79793804
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933139
3-[(3,5-dimethylphenoxy)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 63362112
2-chloro-6-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 114320296
(1R)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 107719931
5-[(2-methyltetrazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 107043205
3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]naphthalen-2-ol
CID 61497370
(1S)-1-[2-fluoro-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 107718894

Frequently Asked Questions

What is the IUPAC name of 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-2-carboxylic acid (CID 79794069) is 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-2-carboxylic acid is CC(C)c1nc(COc2ccc(C(=O)O)nc2)no1.
What is the InChIKey of 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-2-carboxylic acid?
The InChIKey is QWSCEOANFCLGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-7(2)11-14-10(15-19-11)6-18-8-3-4-9(12(16)17)13-5-8/h3-5,7H,6H2,1-2H3,(H,16,17).
What are the key properties of 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-2-carboxylic acid?
5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-2-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 79794069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).