6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

C11H12N2O3 — CID 16788787

IUPAC6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(C(C)C)noc2n1
InChIInChI=1S/C11H12N2O3/c1-5(2)9-8-7(11(14)15)4-6(3)12-10(8)16-13-9/h4-5H,1-3H3,(H,14,15)
InChIKeyQXEGEYHKNDAFAW-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.35
Rot. Bonds2

About 6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 16788787) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID16788787
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(C(C)C)noc2n1
InChIInChI=1S/C11H12N2O3/c1-5(2)9-8-7(11(14)15)4-6(3)12-10(8)16-13-9/h4-5H,1-3H3,(H,14,15)
InChIKeyQXEGEYHKNDAFAW-UHFFFAOYSA-N
XLogP2.35
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (CID 16788787) is 6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is Cc1cc(C(=O)O)c2c(C(C)C)noc2n1.
What is the InChIKey of 6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is QXEGEYHKNDAFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-5(2)9-8-7(11(14)15)4-6(3)12-10(8)16-13-9/h4-5H,1-3H3,(H,14,15).
What are the key properties of 6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 16788787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).