2-benzyloxazine

C11H11NO — CID 22999522

IUPAC2-benzyloxazine
SMILESC1=CON(Cc2ccccc2)C=C1
InChIInChI=1S/C11H11NO/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2
InChIKeySKOLWQBLPTUJFB-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.46
Rot. Bonds2

About 2-benzyloxazine

2-benzyloxazine (PubChem CID 22999522) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-benzyloxazine.

Molecular Properties

Compound Name2-benzyloxazine
PubChem CID22999522
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name2-benzyloxazine
SMILESC1=CON(Cc2ccccc2)C=C1
InChIInChI=1S/C11H11NO/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2
InChIKeySKOLWQBLPTUJFB-UHFFFAOYSA-N
XLogP2.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-benzyloxazine 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-benzyloxazine?
The IUPAC name of 2-benzyloxazine (CID 22999522) is 2-benzyloxazine.
What is the SMILES notation for 2-benzyloxazine?
The canonical SMILES for 2-benzyloxazine is C1=CON(Cc2ccccc2)C=C1.
What is the InChIKey of 2-benzyloxazine?
The InChIKey is SKOLWQBLPTUJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2.
What are the key properties of 2-benzyloxazine?
2-benzyloxazine has a molecular weight of 173.21 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyloxazine is sourced from PubChem (CID 22999522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).