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

C11H10N2O3 — CID 9391710

IUPAC6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1noc2nc(C3CC3)cc(C(=O)O)c12
InChIInChI=1S/C11H10N2O3/c1-5-9-7(11(14)15)4-8(6-2-3-6)12-10(9)16-13-5/h4,6H,2-3H2,1H3,(H,14,15)
InChIKeyHAAOEAXJMWXUTF-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.11
Rot. Bonds2

About 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 9391710) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID9391710
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1noc2nc(C3CC3)cc(C(=O)O)c12
InChIInChI=1S/C11H10N2O3/c1-5-9-7(11(14)15)4-8(6-2-3-6)12-10(9)16-13-5/h4,6H,2-3H2,1H3,(H,14,15)
InChIKeyHAAOEAXJMWXUTF-UHFFFAOYSA-N
XLogP2.11
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (CID 9391710) is 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is Cc1noc2nc(C3CC3)cc(C(=O)O)c12.
What is the InChIKey of 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is HAAOEAXJMWXUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-5-9-7(11(14)15)4-8(6-2-3-6)12-10(9)16-13-5/h4,6H,2-3H2,1H3,(H,14,15).
What are the key properties of 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 9391710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).