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

C11H12N2O3 — CID 16789523

IUPAC3-tert-butyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCC(C)(C)c1noc2ncc(C(=O)O)cc12
InChIInChI=1S/C11H12N2O3/c1-11(2,3)8-7-4-6(10(14)15)5-12-9(7)16-13-8/h4-5H,1-3H3,(H,14,15)
InChIKeyKFDBNPDVIQMHPC-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.22
Rot. Bonds1

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

3-tert-butyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid (PubChem CID 16789523) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-tert-butyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
PubChem CID16789523
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name3-tert-butyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCC(C)(C)c1noc2ncc(C(=O)O)cc12
InChIInChI=1S/C11H12N2O3/c1-11(2,3)8-7-4-6(10(14)15)5-12-9(7)16-13-8/h4-5H,1-3H3,(H,14,15)
InChIKeyKFDBNPDVIQMHPC-UHFFFAOYSA-N
XLogP2.22
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Fluoro-2-hydroxyphenyl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 2545462
3-(2-Methylphenyl)-(1,2)oxazolo(5,4-b)pyridine-5-carboxylic acid
CID 54592812
3-(Propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 16227392
3-Methyl-(1,2)oxazolo(5,4-b)pyridine-5-carboxylic acid
CID 16227991
6-Ethyl-3-methyl-(1,2)oxazolo(5,4-b)pyridine-4-carboxylic acid
CID 18802093
6-Ethyl-3-propyl-(1,2)oxazolo(5,4-b)pyridine-4-carboxylic acid
CID 43379424
[3-(2,2-Dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-thiomorpholin-4-ylmethanone
CID 47890547
N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 53497826
[3-(2,2-Dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-(1,4-thiazepan-4-yl)methanone
CID 56819939
(2,4-Dimethylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone
CID 71877407
Azetidin-1-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone
CID 118740664
3-Methylisoxazolo(5,4-b)pyridine
CID 584212

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-tert-butyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid (CID 16789523) is 3-tert-butyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-tert-butyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid is CC(C)(C)c1noc2ncc(C(=O)O)cc12.
What is the InChIKey of 3-tert-butyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The InChIKey is KFDBNPDVIQMHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-11(2,3)8-7-4-6(10(14)15)5-12-9(7)16-13-8/h4-5H,1-3H3,(H,14,15).
What are the key properties of 3-tert-butyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
3-tert-butyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 16789523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).