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

C8H6N2O3 — CID 82410239

IUPAC4-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCc1c(C(=O)O)cnc2oncc12
InChIInChI=1S/C8H6N2O3/c1-4-5-3-10-13-7(5)9-2-6(4)8(11)12/h2-3H,1H3,(H,11,12)
InChIKeyXVMJLTZXZWTJOY-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.23
Rot. Bonds1

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

4-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid (PubChem CID 82410239) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 4-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
PubChem CID82410239
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name4-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCc1c(C(=O)O)cnc2oncc12
InChIInChI=1S/C8H6N2O3/c1-4-5-3-10-13-7(5)9-2-6(4)8(11)12/h2-3H,1H3,(H,11,12)
InChIKeyXVMJLTZXZWTJOY-UHFFFAOYSA-N
XLogP1.23
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid (CID 82410239) is 4-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid is Cc1c(C(=O)O)cnc2oncc12.
What is the InChIKey of 4-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The InChIKey is XVMJLTZXZWTJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c1-4-5-3-10-13-7(5)9-2-6(4)8(11)12/h2-3H,1H3,(H,11,12).
What are the key properties of 4-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
4-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid has a molecular weight of 178.15 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 82410239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).