3-iodo-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

C6H7IN2O — CID 168899831

IUPAC3-iodo-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESIc1cnc2n1CCCO2
InChIInChI=1S/C6H7IN2O/c7-5-4-8-6-9(5)2-1-3-10-6/h4H,1-3H2
InChIKeyWZNHYEPUNJLGAH-UHFFFAOYSA-N
MW250.04 g/mol
LogP1.27
Rot. Bonds

About 3-iodo-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

3-iodo-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PubChem CID 168899831) has the molecular formula C6H7IN2O and a molecular weight of 250.04 g/mol. Its IUPAC name is 3-iodo-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.

Molecular Properties

Compound Name3-iodo-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
PubChem CID168899831
Molecular FormulaC6H7IN2O
Molecular Weight250.04 g/mol
Exact Mass249.96
IUPAC Name3-iodo-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESIc1cnc2n1CCCO2
InChIInChI=1S/C6H7IN2O/c7-5-4-8-6-9(5)2-1-3-10-6/h4H,1-3H2
InChIKeyWZNHYEPUNJLGAH-UHFFFAOYSA-N
XLogP1.27
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.04
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-iodo-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine 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-iodo-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The IUPAC name of 3-iodo-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (CID 168899831) is 3-iodo-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.
What is the SMILES notation for 3-iodo-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The canonical SMILES for 3-iodo-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is Ic1cnc2n1CCCO2.
What is the InChIKey of 3-iodo-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The InChIKey is WZNHYEPUNJLGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2O/c7-5-4-8-6-9(5)2-1-3-10-6/h4H,1-3H2.
What are the key properties of 3-iodo-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
3-iodo-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine has a molecular weight of 250.04 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is sourced from PubChem (CID 168899831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).