[1,2]oxazolo[3,4-b]pyridine-5-carboxylic acid

C7H4N2O3 — CID 84651760

IUPAC[1,2]oxazolo[3,4-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2nocc2c1
InChIInChI=1S/C7H4N2O3/c10-7(11)4-1-5-3-12-9-6(5)8-2-4/h1-3H,(H,10,11)
InChIKeyUSEJQDVGLGRSRP-UHFFFAOYSA-N
MW164.12 g/mol
LogP0.92
Rot. Bonds1

About [1,2]oxazolo[3,4-b]pyridine-5-carboxylic acid

[1,2]oxazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 84651760) has the molecular formula C7H4N2O3 and a molecular weight of 164.12 g/mol. Its IUPAC name is [1,2]oxazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name[1,2]oxazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID84651760
Molecular FormulaC7H4N2O3
Molecular Weight164.12 g/mol
Exact Mass164.02
IUPAC Name[1,2]oxazolo[3,4-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2nocc2c1
InChIInChI=1S/C7H4N2O3/c10-7(11)4-1-5-3-12-9-6(5)8-2-4/h1-3H,(H,10,11)
InChIKeyUSEJQDVGLGRSRP-UHFFFAOYSA-N
XLogP0.92
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 80502932
4-amino-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxylic acid
CID 163383500
2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821326
6,7-dihydroxyquinoline-3-carboxylic acid
CID 135795174
2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 80503887
2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820572
2-bromothieno[2,3-b]pyridine-5-carboxylic acid
CID 82665417
2-triethylsilylfuro[2,3-b]pyridine-5-carboxylic acid
CID 68691634
2-phenyl-[1,3]oxazolo[4,5-b]pyridine-6-carboxylic acid
CID 15270665
2-(difluoromethyl)thieno[2,3-b]pyridine-5-carboxylic acid
CID 84692457
6-hydroxyquinoline-3-carboxylic acid
CID 58902455
6-chloroquinoline-3-carboxylic acid
CID 14241492

Frequently Asked Questions

What is the IUPAC name of [1,2]oxazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of [1,2]oxazolo[3,4-b]pyridine-5-carboxylic acid (CID 84651760) is [1,2]oxazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for [1,2]oxazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for [1,2]oxazolo[3,4-b]pyridine-5-carboxylic acid is O=C(O)c1cnc2nocc2c1.
What is the InChIKey of [1,2]oxazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is USEJQDVGLGRSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O3/c10-7(11)4-1-5-3-12-9-6(5)8-2-4/h1-3H,(H,10,11).
What are the key properties of [1,2]oxazolo[3,4-b]pyridine-5-carboxylic acid?
[1,2]oxazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 164.12 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2]oxazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 84651760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).