3,7-dimethyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid

C9H8N2O4 — CID 82395493

IUPAC3,7-dimethyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCc1noc2c1c(=O)c(C(=O)O)cn2C
InChIInChI=1S/C9H8N2O4/c1-4-6-7(12)5(9(13)14)3-11(2)8(6)15-10-4/h3H,1-2H3,(H,13,14)
InChIKeyQLNVENHQJVCTNS-UHFFFAOYSA-N
MW208.17 g/mol
LogP0.53
Rot. Bonds1

About 3,7-dimethyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid

3,7-dimethyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid (PubChem CID 82395493) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 3,7-dimethyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3,7-dimethyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
PubChem CID82395493
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name3,7-dimethyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCc1noc2c1c(=O)c(C(=O)O)cn2C
InChIInChI=1S/C9H8N2O4/c1-4-6-7(12)5(9(13)14)3-11(2)8(6)15-10-4/h3H,1-2H3,(H,13,14)
InChIKeyQLNVENHQJVCTNS-UHFFFAOYSA-N
XLogP0.53
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 3,7-dimethyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid (CID 82395493) is 3,7-dimethyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3,7-dimethyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3,7-dimethyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid is Cc1noc2c1c(=O)c(C(=O)O)cn2C.
What is the InChIKey of 3,7-dimethyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The InChIKey is QLNVENHQJVCTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c1-4-6-7(12)5(9(13)14)3-11(2)8(6)15-10-4/h3H,1-2H3,(H,13,14).
What are the key properties of 3,7-dimethyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
3,7-dimethyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid has a molecular weight of 208.17 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 82395493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).