3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine

C7H13NO — CID 10931450

IUPAC3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
SMILESC1CCN2CCOC2C1
InChIInChI=1S/C7H13NO/c1-2-4-8-5-6-9-7(8)3-1/h7H,1-6H2
InChIKeyXKHZHUIKNMFNOR-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.83
Rot. Bonds

About 3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine

3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine (PubChem CID 10931450) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine.

Molecular Properties

Compound Name3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
PubChem CID10931450
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
SMILESC1CCN2CCOC2C1
InChIInChI=1S/C7H13NO/c1-2-4-8-5-6-9-7(8)3-1/h7H,1-6H2
InChIKeyXKHZHUIKNMFNOR-UHFFFAOYSA-N
XLogP0.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]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 3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The IUPAC name of 3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine (CID 10931450) is 3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine.
What is the SMILES notation for 3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The canonical SMILES for 3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine is C1CCN2CCOC2C1.
What is the InChIKey of 3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The InChIKey is XKHZHUIKNMFNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-4-8-5-6-9-7(8)3-1/h7H,1-6H2.
What are the key properties of 3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine has a molecular weight of 127.19 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine is sourced from PubChem (CID 10931450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).