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

C7H4N2O3 — CID 66692211

IUPAC[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc2oncc12
InChIInChI=1S/C7H4N2O3/c10-7(11)4-1-2-8-6-5(4)3-9-12-6/h1-3H,(H,10,11)
InChIKeyCLOLPYPGRNCLCF-UHFFFAOYSA-N
MW164.12 g/mol
LogP0.92
Rot. Bonds1

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

[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 66692211) has the molecular formula C7H4N2O3 and a molecular weight of 164.12 g/mol. Its IUPAC name is [1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID66692211
Molecular FormulaC7H4N2O3
Molecular Weight164.12 g/mol
Exact Mass164.02
IUPAC Name[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc2oncc12
InChIInChI=1S/C7H4N2O3/c10-7(11)4-1-2-8-6-5(4)3-9-12-6/h1-3H,(H,10,11)
InChIKeyCLOLPYPGRNCLCF-UHFFFAOYSA-N
XLogP0.92
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 82410239
4-chloro-[1,2]oxazolo[5,4-b]pyridine
CID 82416459
thieno[2,3-b]pyridine-4-carboxylic acid
CID 54059213
7-bromo-1,2-benzoxazole-4-carboxylic acid
CID 117109891
5-pyrimidin-4-yl-1,2-oxazole-4-carboxylic acid
CID 96624809
4-bromo-1,2-benzoxazole-5-carboxylic acid
CID 117109886
3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 83908635
1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 102941807
4-(3,4-dimethylpiperazin-1-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 70010744
7-methoxy-1,2-benzoxazole-6-carboxylic acid
CID 117109900
6-ethylquinoline-4-carboxylic acid
CID 83527113
7-methyl-1,8-naphthyridine-4-carboxylic acid
CID 12528926

Frequently Asked Questions

What is the IUPAC name of [1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of [1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (CID 66692211) is [1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for [1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for [1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1ccnc2oncc12.
What is the InChIKey of [1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is CLOLPYPGRNCLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O3/c10-7(11)4-1-2-8-6-5(4)3-9-12-6/h1-3H,(H,10,11).
What are the key properties of [1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 164.12 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 66692211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).