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

C10H10N2O3 — CID 16784420

IUPAC3-propyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCCCc1noc2ncc(C(=O)O)cc12
InChIInChI=1S/C10H10N2O3/c1-2-3-8-7-4-6(10(13)14)5-11-9(7)15-12-8/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyTYSBQHKXOZUWCZ-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.87
Rot. Bonds3

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

3-propyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid (PubChem CID 16784420) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-propyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-propyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
PubChem CID16784420
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-propyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCCCc1noc2ncc(C(=O)O)cc12
InChIInChI=1S/C10H10N2O3/c1-2-3-8-7-4-6(10(13)14)5-11-9(7)15-12-8/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyTYSBQHKXOZUWCZ-UHFFFAOYSA-N
XLogP1.87
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-propyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-propyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid (CID 16784420) is 3-propyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-propyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-propyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid is CCCc1noc2ncc(C(=O)O)cc12.
What is the InChIKey of 3-propyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The InChIKey is TYSBQHKXOZUWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-2-3-8-7-4-6(10(13)14)5-11-9(7)15-12-8/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 3-propyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
3-propyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 16784420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).