2-(3,6-dihydro-2H-1,4-oxazin-5-ylamino)-1-(4-methylphenyl)ethanone

C13H16N2O2 — CID 2318975

IUPAC2-(3,6-dihydro-2H-1,4-oxazin-5-ylamino)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CNC2=NCCOC2)cc1
InChIInChI=1S/C13H16N2O2/c1-10-2-4-11(5-3-10)12(16)8-15-13-9-17-7-6-14-13/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyDIPAMWGQEIJDHA-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.20
Rot. Bonds3

About 2-(3,6-dihydro-2H-1,4-oxazin-5-ylamino)-1-(4-methylphenyl)ethanone

2-(3,6-dihydro-2H-1,4-oxazin-5-ylamino)-1-(4-methylphenyl)ethanone (PubChem CID 2318975) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-1,4-oxazin-5-ylamino)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-1,4-oxazin-5-ylamino)-1-(4-methylphenyl)ethanone
PubChem CID2318975
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(3,6-dihydro-2H-1,4-oxazin-5-ylamino)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CNC2=NCCOC2)cc1
InChIInChI=1S/C13H16N2O2/c1-10-2-4-11(5-3-10)12(16)8-15-13-9-17-7-6-14-13/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyDIPAMWGQEIJDHA-UHFFFAOYSA-N
XLogP1.20
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,6-dihydro-2H-1,4-oxazin-5-ylamino)-1-(4-methylphenyl)ethanone 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-(3,6-dihydro-2H-1,4-oxazin-5-ylamino)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(3,6-dihydro-2H-1,4-oxazin-5-ylamino)-1-(4-methylphenyl)ethanone (CID 2318975) is 2-(3,6-dihydro-2H-1,4-oxazin-5-ylamino)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(3,6-dihydro-2H-1,4-oxazin-5-ylamino)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(3,6-dihydro-2H-1,4-oxazin-5-ylamino)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CNC2=NCCOC2)cc1.
What is the InChIKey of 2-(3,6-dihydro-2H-1,4-oxazin-5-ylamino)-1-(4-methylphenyl)ethanone?
The InChIKey is DIPAMWGQEIJDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10-2-4-11(5-3-10)12(16)8-15-13-9-17-7-6-14-13/h2-5H,6-9H2,1H3,(H,14,15).
What are the key properties of 2-(3,6-dihydro-2H-1,4-oxazin-5-ylamino)-1-(4-methylphenyl)ethanone?
2-(3,6-dihydro-2H-1,4-oxazin-5-ylamino)-1-(4-methylphenyl)ethanone has a molecular weight of 232.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-1,4-oxazin-5-ylamino)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 2318975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).