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

C10H12N2O — CID 144655994

IUPAC3-butan-2-yl-[1,2]oxazolo[5,4-b]pyridine
SMILESCCC(C)c1noc2ncccc12
InChIInChI=1S/C10H12N2O/c1-3-7(2)9-8-5-4-6-11-10(8)13-12-9/h4-7H,3H2,1-2H3
InChIKeyRNKMCLFAWZUBPQ-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.74
Rot. Bonds2

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

3-butan-2-yl-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 144655994) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-butan-2-yl-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-butan-2-yl-[1,2]oxazolo[5,4-b]pyridine
PubChem CID144655994
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-butan-2-yl-[1,2]oxazolo[5,4-b]pyridine
SMILESCCC(C)c1noc2ncccc12
InChIInChI=1S/C10H12N2O/c1-3-7(2)9-8-5-4-6-11-10(8)13-12-9/h4-7H,3H2,1-2H3
InChIKeyRNKMCLFAWZUBPQ-UHFFFAOYSA-N
XLogP2.74
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-butan-2-yl-[1,2]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

Related Compounds

N-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine
CID 129151482
2-butan-2-yl-3-(4-methylphenyl)pyridine
CID 144506190
3-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine
CID 58783653
N-([1,2]oxazolo[5,4-b]pyridin-3-yl)propanamide
CID 42110353
2-butan-2-yl-3-(2-methoxyethoxy)pyridine
CID 176934117
3-(3-bromo-2-methylpropyl)-2-butan-2-ylpyridine
CID 123872868
2-butan-2-ylpyrimidine;2-methylpyridine
CID 142961647
3-methyl-[1,2]oxazolo[5,4-b]pyridine;5-methyl-2H-tetrazole
CID 159696966
2,3-diethylfuro[2,3-b]pyridine
CID 89359925
3-butan-2-yl-N,N-dimethylpyridin-2-amine
CID 129162816
2-ethyl-3-methylfuro[2,3-b]pyridine
CID 142876965
3-butan-2-yl-2-methoxypyridine
CID 130368185

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-butan-2-yl-[1,2]oxazolo[5,4-b]pyridine (CID 144655994) is 3-butan-2-yl-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-butan-2-yl-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-butan-2-yl-[1,2]oxazolo[5,4-b]pyridine is CCC(C)c1noc2ncccc12.
What is the InChIKey of 3-butan-2-yl-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is RNKMCLFAWZUBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-7(2)9-8-5-4-6-11-10(8)13-12-9/h4-7H,3H2,1-2H3.
What are the key properties of 3-butan-2-yl-[1,2]oxazolo[5,4-b]pyridine?
3-butan-2-yl-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 176.22 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 144655994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).