3-ethoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine

C8H12N2O2 — CID 71562552

IUPAC3-ethoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
SMILESCCOc1noc2c1CCNC2
InChIInChI=1S/C8H12N2O2/c1-2-11-8-6-3-4-9-5-7(6)12-10-8/h9H,2-5H2,1H3
InChIKeyPWQUBUBSTCUDQV-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.72
Rot. Bonds2

About 3-ethoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine

3-ethoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine (PubChem CID 71562552) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-ethoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-ethoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
PubChem CID71562552
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-ethoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
SMILESCCOc1noc2c1CCNC2
InChIInChI=1S/C8H12N2O2/c1-2-11-8-6-3-4-9-5-7(6)12-10-8/h9H,2-5H2,1H3
InChIKeyPWQUBUBSTCUDQV-UHFFFAOYSA-N
XLogP0.72
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]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-ethoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
The IUPAC name of 3-ethoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine (CID 71562552) is 3-ethoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 3-ethoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
The canonical SMILES for 3-ethoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine is CCOc1noc2c1CCNC2.
What is the InChIKey of 3-ethoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
The InChIKey is PWQUBUBSTCUDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-11-8-6-3-4-9-5-7(6)12-10-8/h9H,2-5H2,1H3.
What are the key properties of 3-ethoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
3-ethoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine has a molecular weight of 168.20 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 71562552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).