2-benzyl-5,6-dihydro-4H-1,3-oxazine

C11H13NO — CID 10702404

IUPAC2-benzyl-5,6-dihydro-4H-1,3-oxazine
SMILESc1ccc(CC2=NCCCO2)cc1
InChIInChI=1S/C11H13NO/c1-2-5-10(6-3-1)9-11-12-7-4-8-13-11/h1-3,5-6H,4,7-9H2
InChIKeyLGZCCBKPENNNCJ-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.05
Rot. Bonds2

About 2-benzyl-5,6-dihydro-4H-1,3-oxazine

2-benzyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 10702404) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-benzyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-benzyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID10702404
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-benzyl-5,6-dihydro-4H-1,3-oxazine
SMILESc1ccc(CC2=NCCCO2)cc1
InChIInChI=1S/C11H13NO/c1-2-5-10(6-3-1)9-11-12-7-4-8-13-11/h1-3,5-6H,4,7-9H2
InChIKeyLGZCCBKPENNNCJ-UHFFFAOYSA-N
XLogP2.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-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-benzyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-benzyl-5,6-dihydro-4H-1,3-oxazine (CID 10702404) is 2-benzyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-benzyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-benzyl-5,6-dihydro-4H-1,3-oxazine is c1ccc(CC2=NCCCO2)cc1.
What is the InChIKey of 2-benzyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is LGZCCBKPENNNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-5-10(6-3-1)9-11-12-7-4-8-13-11/h1-3,5-6H,4,7-9H2.
What are the key properties of 2-benzyl-5,6-dihydro-4H-1,3-oxazine?
2-benzyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 175.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 10702404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).