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

C10H12N2O — CID 82337942

IUPAC5-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1ccc2nc(C(C)C)oc2n1
InChIInChI=1S/C10H12N2O/c1-6(2)9-12-8-5-4-7(3)11-10(8)13-9/h4-6H,1-3H3
InChIKeyXDJFHQHVFLYBFP-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.65
Rot. Bonds1

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

5-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 82337942) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID82337942
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1ccc2nc(C(C)C)oc2n1
InChIInChI=1S/C10H12N2O/c1-6(2)9-12-8-5-4-7(3)11-10(8)13-9/h4-6H,1-3H3
InChIKeyXDJFHQHVFLYBFP-UHFFFAOYSA-N
XLogP2.65
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine (CID 82337942) is 5-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine is Cc1ccc2nc(C(C)C)oc2n1.
What is the InChIKey of 5-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is XDJFHQHVFLYBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-6(2)9-12-8-5-4-7(3)11-10(8)13-9/h4-6H,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine?
5-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 176.22 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 82337942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).