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

C10H10N2O3 — CID 18802093

IUPAC6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)c2c(C)noc2n1
InChIInChI=1S/C10H10N2O3/c1-3-6-4-7(10(13)14)8-5(2)12-15-9(8)11-6/h4H,3H2,1-2H3,(H,13,14)
InChIKeySYMJIFPZZGOKLH-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.79
Rot. Bonds2

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

6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 18802093) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID18802093
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)c2c(C)noc2n1
InChIInChI=1S/C10H10N2O3/c1-3-6-4-7(10(13)14)8-5(2)12-15-9(8)11-6/h4H,3H2,1-2H3,(H,13,14)
InChIKeySYMJIFPZZGOKLH-UHFFFAOYSA-N
XLogP1.79
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (CID 18802093) is 6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is CCc1cc(C(=O)O)c2c(C)noc2n1.
What is the InChIKey of 6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is SYMJIFPZZGOKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-3-6-4-7(10(13)14)8-5(2)12-15-9(8)11-6/h4H,3H2,1-2H3,(H,13,14).
What are the key properties of 6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 18802093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).