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

C8H7N3O3 — CID 84664498

IUPAC7-(methylamino)-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid
SMILESCNc1ccnc2oc(C(=O)O)nc12
InChIInChI=1S/C8H7N3O3/c1-9-4-2-3-10-6-5(4)11-7(14-6)8(12)13/h2-3H,1H3,(H,9,10)(H,12,13)
InChIKeyGMGPSLNWDLCZIC-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.96
Rot. Bonds2

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

7-(methylamino)-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid (PubChem CID 84664498) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 7-(methylamino)-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-(methylamino)-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid
PubChem CID84664498
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name7-(methylamino)-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid
SMILESCNc1ccnc2oc(C(=O)O)nc12
InChIInChI=1S/C8H7N3O3/c1-9-4-2-3-10-6-5(4)11-7(14-6)8(12)13/h2-3H,1H3,(H,9,10)(H,12,13)
InChIKeyGMGPSLNWDLCZIC-UHFFFAOYSA-N
XLogP0.96
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid?
The IUPAC name of 7-(methylamino)-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid (CID 84664498) is 7-(methylamino)-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-(methylamino)-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid?
The canonical SMILES for 7-(methylamino)-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid is CNc1ccnc2oc(C(=O)O)nc12.
What is the InChIKey of 7-(methylamino)-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid?
The InChIKey is GMGPSLNWDLCZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-9-4-2-3-10-6-5(4)11-7(14-6)8(12)13/h2-3H,1H3,(H,9,10)(H,12,13).
What are the key properties of 7-(methylamino)-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid?
7-(methylamino)-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)-[1,3]oxazolo[5,4-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 84664498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).