2-(oxan-2-yl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid

C12H12N2O4 — CID 114218201

IUPAC2-(oxan-2-yl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(C3CCCCO3)nc2n1
InChIInChI=1S/C12H12N2O4/c15-12(16)7-4-5-8-10(13-7)14-11(18-8)9-3-1-2-6-17-9/h4-5,9H,1-3,6H2,(H,15,16)
InChIKeySVOUXWYEIHOGSU-UHFFFAOYSA-N
MW248.24 g/mol
LogP2.16
Rot. Bonds2

About 2-(oxan-2-yl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid

2-(oxan-2-yl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 114218201) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-(oxan-2-yl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(oxan-2-yl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
PubChem CID114218201
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-(oxan-2-yl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(C3CCCCO3)nc2n1
InChIInChI=1S/C12H12N2O4/c15-12(16)7-4-5-8-10(13-7)14-11(18-8)9-3-1-2-6-17-9/h4-5,9H,1-3,6H2,(H,15,16)
InChIKeySVOUXWYEIHOGSU-UHFFFAOYSA-N
XLogP2.16
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-(oxan-2-yl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid (CID 114218201) is 2-(oxan-2-yl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(oxan-2-yl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(oxan-2-yl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid is O=C(O)c1ccc2oc(C3CCCCO3)nc2n1.
What is the InChIKey of 2-(oxan-2-yl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The InChIKey is SVOUXWYEIHOGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c15-12(16)7-4-5-8-10(13-7)14-11(18-8)9-3-1-2-6-17-9/h4-5,9H,1-3,6H2,(H,15,16).
What are the key properties of 2-(oxan-2-yl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
2-(oxan-2-yl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 114218201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).