4-amino-1-methyl-4,6-dihydro-[1,2]oxazolo[5,4-d][1]benzazepin-5-one

C12H11N3O2 — CID 72695800

IUPAC4-amino-1-methyl-4,6-dihydro-[1,2]oxazolo[5,4-d][1]benzazepin-5-one
SMILESCc1noc2c1-c1ccccc1NC(=O)C2N
InChIInChI=1S/C12H11N3O2/c1-6-9-7-4-2-3-5-8(7)14-12(16)10(13)11(9)17-15-6/h2-5,10H,13H2,1H3,(H,14,16)
InChIKeyHDLNQZMSGOJBKL-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.60
Rot. Bonds

About 4-amino-1-methyl-4,6-dihydro-[1,2]oxazolo[5,4-d][1]benzazepin-5-one

4-amino-1-methyl-4,6-dihydro-[1,2]oxazolo[5,4-d][1]benzazepin-5-one (PubChem CID 72695800) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-amino-1-methyl-4,6-dihydro-[1,2]oxazolo[5,4-d][1]benzazepin-5-one.

Molecular Properties

Compound Name4-amino-1-methyl-4,6-dihydro-[1,2]oxazolo[5,4-d][1]benzazepin-5-one
PubChem CID72695800
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name4-amino-1-methyl-4,6-dihydro-[1,2]oxazolo[5,4-d][1]benzazepin-5-one
SMILESCc1noc2c1-c1ccccc1NC(=O)C2N
InChIInChI=1S/C12H11N3O2/c1-6-9-7-4-2-3-5-8(7)14-12(16)10(13)11(9)17-15-6/h2-5,10H,13H2,1H3,(H,14,16)
InChIKeyHDLNQZMSGOJBKL-UHFFFAOYSA-N
XLogP1.60
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-1-methyl-4,6-dihydro-[1,2]oxazolo[5,4-d][1]benzazepin-5-one 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 4-amino-1-methyl-4,6-dihydro-[1,2]oxazolo[5,4-d][1]benzazepin-5-one?
The IUPAC name of 4-amino-1-methyl-4,6-dihydro-[1,2]oxazolo[5,4-d][1]benzazepin-5-one (CID 72695800) is 4-amino-1-methyl-4,6-dihydro-[1,2]oxazolo[5,4-d][1]benzazepin-5-one.
What is the SMILES notation for 4-amino-1-methyl-4,6-dihydro-[1,2]oxazolo[5,4-d][1]benzazepin-5-one?
The canonical SMILES for 4-amino-1-methyl-4,6-dihydro-[1,2]oxazolo[5,4-d][1]benzazepin-5-one is Cc1noc2c1-c1ccccc1NC(=O)C2N.
What is the InChIKey of 4-amino-1-methyl-4,6-dihydro-[1,2]oxazolo[5,4-d][1]benzazepin-5-one?
The InChIKey is HDLNQZMSGOJBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-6-9-7-4-2-3-5-8(7)14-12(16)10(13)11(9)17-15-6/h2-5,10H,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-1-methyl-4,6-dihydro-[1,2]oxazolo[5,4-d][1]benzazepin-5-one?
4-amino-1-methyl-4,6-dihydro-[1,2]oxazolo[5,4-d][1]benzazepin-5-one has a molecular weight of 229.24 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-4,6-dihydro-[1,2]oxazolo[5,4-d][1]benzazepin-5-one is sourced from PubChem (CID 72695800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).