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

C10H10N2O3 — CID 83819985

IUPAC2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)c1nc2cc(C(=O)O)cnc2o1
InChIInChI=1S/C10H10N2O3/c1-5(2)8-12-7-3-6(10(13)14)4-11-9(7)15-8/h3-5H,1-2H3,(H,13,14)
InChIKeyXMSWPBXCXSPCEE-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.04
Rot. Bonds2

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

2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 83819985) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID83819985
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)c1nc2cc(C(=O)O)cnc2o1
InChIInChI=1S/C10H10N2O3/c1-5(2)8-12-7-3-6(10(13)14)4-11-9(7)15-8/h3-5H,1-2H3,(H,13,14)
InChIKeyXMSWPBXCXSPCEE-UHFFFAOYSA-N
XLogP2.04
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine-6-carboxylic acid (CID 83819985) is 2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine-6-carboxylic acid is CC(C)c1nc2cc(C(=O)O)cnc2o1.
What is the InChIKey of 2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is XMSWPBXCXSPCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-5(2)8-12-7-3-6(10(13)14)4-11-9(7)15-8/h3-5H,1-2H3,(H,13,14).
What are the key properties of 2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine-6-carboxylic acid?
2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 83819985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).