2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine

C12H20N2O2 — CID 67107920

IUPAC2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine
SMILESCCCC(C1=NCCCO1)C1=NCCCO1
InChIInChI=1S/C12H20N2O2/c1-2-5-10(11-13-6-3-8-15-11)12-14-7-4-9-16-12/h10H,2-9H2,1H3
InChIKeyZZNKIBAOKKZAQX-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.04
Rot. Bonds4

About 2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine

2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine (PubChem CID 67107920) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine
PubChem CID67107920
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine
SMILESCCCC(C1=NCCCO1)C1=NCCCO1
InChIInChI=1S/C12H20N2O2/c1-2-5-10(11-13-6-3-8-15-11)12-14-7-4-9-16-12/h10H,2-9H2,1H3
InChIKeyZZNKIBAOKKZAQX-UHFFFAOYSA-N
XLogP2.04
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-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 2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine (CID 67107920) is 2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine is CCCC(C1=NCCCO1)C1=NCCCO1.
What is the InChIKey of 2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is ZZNKIBAOKKZAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-5-10(11-13-6-3-8-15-11)12-14-7-4-9-16-12/h10H,2-9H2,1H3.
What are the key properties of 2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine?
2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 224.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 67107920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).