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

C12H14N2O3 — CID 43379424

IUPAC6-ethyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCCCc1noc2nc(CC)cc(C(=O)O)c12
InChIInChI=1S/C12H14N2O3/c1-3-5-9-10-8(12(15)16)6-7(4-2)13-11(10)17-14-9/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyQSZIWYBYPFIIEO-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.44
Rot. Bonds4

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

6-ethyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 43379424) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 6-ethyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID43379424
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name6-ethyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCCCc1noc2nc(CC)cc(C(=O)O)c12
InChIInChI=1S/C12H14N2O3/c1-3-5-9-10-8(12(15)16)6-7(4-2)13-11(10)17-14-9/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyQSZIWYBYPFIIEO-UHFFFAOYSA-N
XLogP2.44
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-ethyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (CID 43379424) is 6-ethyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-ethyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-ethyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is CCCc1noc2nc(CC)cc(C(=O)O)c12.
What is the InChIKey of 6-ethyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is QSZIWYBYPFIIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-5-9-10-8(12(15)16)6-7(4-2)13-11(10)17-14-9/h6H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 6-ethyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
6-ethyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 43379424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).