4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-ol

C16H19N3O3 — CID 146140644

IUPAC4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-ol
SMILESOc1ccc2c(c1)CN(Cc1cnc3n1CCOC3)CCO2
InChIInChI=1S/C16H19N3O3/c20-14-1-2-15-12(7-14)9-18(3-6-22-15)10-13-8-17-16-11-21-5-4-19(13)16/h1-2,7-8,20H,3-6,9-11H2
InChIKeyGYFMEPFWXDZNLW-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.51
Rot. Bonds2

About 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-ol

4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-ol (PubChem CID 146140644) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-ol.

Molecular Properties

Compound Name4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-ol
PubChem CID146140644
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-ol
SMILESOc1ccc2c(c1)CN(Cc1cnc3n1CCOC3)CCO2
InChIInChI=1S/C16H19N3O3/c20-14-1-2-15-12(7-14)9-18(3-6-22-15)10-13-8-17-16-11-21-5-4-19(13)16/h1-2,7-8,20H,3-6,9-11H2
InChIKeyGYFMEPFWXDZNLW-UHFFFAOYSA-N
XLogP1.51
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-ol 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-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-ol?
The IUPAC name of 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-ol (CID 146140644) is 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-ol.
What is the SMILES notation for 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-ol?
The canonical SMILES for 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-ol is Oc1ccc2c(c1)CN(Cc1cnc3n1CCOC3)CCO2.
What is the InChIKey of 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-ol?
The InChIKey is GYFMEPFWXDZNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-14-1-2-15-12(7-14)9-18(3-6-22-15)10-13-8-17-16-11-21-5-4-19(13)16/h1-2,7-8,20H,3-6,9-11H2.
What are the key properties of 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-ol?
4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-ol has a molecular weight of 301.35 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-ol is sourced from PubChem (CID 146140644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).