2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine-7-carboxylic acid

C11H12N2O3 — CID 84685462

IUPAC2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine-7-carboxylic acid
SMILESCC(C)Cc1nc2nccc(C(=O)O)c2o1
InChIInChI=1S/C11H12N2O3/c1-6(2)5-8-13-10-9(16-8)7(11(14)15)3-4-12-10/h3-4,6H,5H2,1-2H3,(H,14,15)
InChIKeyCJNHGKIUAXROES-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.12
Rot. Bonds3

About 2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine-7-carboxylic acid

2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 84685462) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine-7-carboxylic acid
PubChem CID84685462
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine-7-carboxylic acid
SMILESCC(C)Cc1nc2nccc(C(=O)O)c2o1
InChIInChI=1S/C11H12N2O3/c1-6(2)5-8-13-10-9(16-8)7(11(14)15)3-4-12-10/h3-4,6H,5H2,1-2H3,(H,14,15)
InChIKeyCJNHGKIUAXROES-UHFFFAOYSA-N
XLogP2.12
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine
CID 84708458
2-(2-methylpropyl)pyrimidine-4-carboxylic acid
CID 62749024
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927
2-[(1S)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 103936814
7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carboxylic acid
CID 84675802
7-methyl-1,8-naphthyridine-4-carboxylic acid
CID 12528926
2-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 114374677
2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid
CID 844972
2-(1-methylsulfonylethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 113422214
2-methyl-3-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoic acid
CID 82809009
5-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid
CID 82412941
2-bromo-3-ethylpyridine-4-carboxylic acid
CID 52911016

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine-7-carboxylic acid (CID 84685462) is 2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine-7-carboxylic acid is CC(C)Cc1nc2nccc(C(=O)O)c2o1.
What is the InChIKey of 2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is CJNHGKIUAXROES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-6(2)5-8-13-10-9(16-8)7(11(14)15)3-4-12-10/h3-4,6H,5H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine-7-carboxylic acid?
2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 84685462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).