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

C9H9N3O3 — CID 83908935

IUPAC4-amino-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCCc1noc2ncc(C(=O)O)c(N)c12
InChIInChI=1S/C9H9N3O3/c1-2-5-6-7(10)4(9(13)14)3-11-8(6)15-12-5/h3H,2H2,1H3,(H2,10,11)(H,13,14)
InChIKeyLKGRZOTYBIKLQL-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.07
Rot. Bonds2

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

4-amino-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid (PubChem CID 83908935) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 4-amino-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
PubChem CID83908935
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name4-amino-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCCc1noc2ncc(C(=O)O)c(N)c12
InChIInChI=1S/C9H9N3O3/c1-2-5-6-7(10)4(9(13)14)3-11-8(6)15-12-5/h3H,2H2,1H3,(H2,10,11)(H,13,14)
InChIKeyLKGRZOTYBIKLQL-UHFFFAOYSA-N
XLogP1.07
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,2-dimethylpropyl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 62233544
3-ethyl-6-methoxy-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 105478828
5-amino-2-ethylpyridine-3-carboxylic acid
CID 84652342
3-ethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 102534295
2-(3-ethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetic acid
CID 53213954
4-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 82410239
4-ethyl-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carboxylic acid
CID 22831545
3-(2-methylpropyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 102534289
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
4-cyclobutyl-6-ethyl-5-methylpyridine-3-carboxylic acid
CID 96609064
2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid
CID 119350359
10-amino-8-methyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene-11-carboxylic acid
CID 21389170

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-amino-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid (CID 83908935) is 4-amino-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-amino-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-amino-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid is CCc1noc2ncc(C(=O)O)c(N)c12.
What is the InChIKey of 4-amino-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The InChIKey is LKGRZOTYBIKLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-2-5-6-7(10)4(9(13)14)3-11-8(6)15-12-5/h3H,2H2,1H3,(H2,10,11)(H,13,14).
What are the key properties of 4-amino-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
4-amino-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 83908935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).