3,4-diphenyl-4H-1,5,2-dioxazepine

C16H13NO2 — CID 12996356

IUPAC3,4-diphenyl-4H-1,5,2-dioxazepine
SMILESC1=COC(c2ccccc2)C(c2ccccc2)=NO1
InChIInChI=1S/C16H13NO2/c1-3-7-13(8-4-1)15-16(18-11-12-19-17-15)14-9-5-2-6-10-14/h1-12,16H
InChIKeyUHDXBAJJGLLPPY-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.65
Rot. Bonds2

About 3,4-diphenyl-4H-1,5,2-dioxazepine

3,4-diphenyl-4H-1,5,2-dioxazepine (PubChem CID 12996356) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3,4-diphenyl-4H-1,5,2-dioxazepine.

Molecular Properties

Compound Name3,4-diphenyl-4H-1,5,2-dioxazepine
PubChem CID12996356
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name3,4-diphenyl-4H-1,5,2-dioxazepine
SMILESC1=COC(c2ccccc2)C(c2ccccc2)=NO1
InChIInChI=1S/C16H13NO2/c1-3-7-13(8-4-1)15-16(18-11-12-19-17-15)14-9-5-2-6-10-14/h1-12,16H
InChIKeyUHDXBAJJGLLPPY-UHFFFAOYSA-N
XLogP3.65
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4-diphenyl-4H-1,5,2-dioxazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,5-triphenyl-5H-oxadiazole
CID 123432750
(NE)-N-(3,5-diphenyl-1,2-oxazol-4-ylidene)hydroxylamine
CID 135778341
2,3,4,5-tetraphenyl-2H-pyran
CID 141213497
(5R,6R)-4,6-diphenylspiro[1,3-diazabicyclo[3.1.0]hex-3-ene-2,1'-cyclododecane]
CID 92844119
[(4S)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]methanol
CID 15529149
(3aR,4S,6S)-4,6-diphenyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole
CID 10333086
5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 139240735
(4S,5S)-5-(chloromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 127261803
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
4-phenyl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene
CID 12999867
2,4-diphenyl-2H-pyran
CID 18671215

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-4H-1,5,2-dioxazepine?
The IUPAC name of 3,4-diphenyl-4H-1,5,2-dioxazepine (CID 12996356) is 3,4-diphenyl-4H-1,5,2-dioxazepine.
What is the SMILES notation for 3,4-diphenyl-4H-1,5,2-dioxazepine?
The canonical SMILES for 3,4-diphenyl-4H-1,5,2-dioxazepine is C1=COC(c2ccccc2)C(c2ccccc2)=NO1.
What is the InChIKey of 3,4-diphenyl-4H-1,5,2-dioxazepine?
The InChIKey is UHDXBAJJGLLPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-3-7-13(8-4-1)15-16(18-11-12-19-17-15)14-9-5-2-6-10-14/h1-12,16H.
What are the key properties of 3,4-diphenyl-4H-1,5,2-dioxazepine?
3,4-diphenyl-4H-1,5,2-dioxazepine has a molecular weight of 251.29 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-4H-1,5,2-dioxazepine is sourced from PubChem (CID 12996356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).