3-(4-methylphenyl)-5,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine

C22H20N2O — CID 134997116

IUPAC3-(4-methylphenyl)-5,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine
SMILESCc1ccc(C2=NOC(c3ccccc3)N(c3ccccc3)C2)cc1
InChIInChI=1S/C22H20N2O/c1-17-12-14-18(15-13-17)21-16-24(20-10-6-3-7-11-20)22(25-23-21)19-8-4-2-5-9-19/h2-15,22H,16H2,1H3
InChIKeyXYPLIKAPMCYRBS-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.93
Rot. Bonds3

About 3-(4-methylphenyl)-5,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine

3-(4-methylphenyl)-5,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine (PubChem CID 134997116) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine.

Molecular Properties

Compound Name3-(4-methylphenyl)-5,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine
PubChem CID134997116
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name3-(4-methylphenyl)-5,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine
SMILESCc1ccc(C2=NOC(c3ccccc3)N(c3ccccc3)C2)cc1
InChIInChI=1S/C22H20N2O/c1-17-12-14-18(15-13-17)21-16-24(20-10-6-3-7-11-20)22(25-23-21)19-8-4-2-5-9-19/h2-15,22H,16H2,1H3
InChIKeyXYPLIKAPMCYRBS-UHFFFAOYSA-N
XLogP4.93
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8H-Dibenzo(b,f)isoxazolo(4,5-d)azepine, 3a,12b-dihydro-8-(2-(dimethylamino)ethyl)-3-phenyl-, hydrochloride
CID 24837513
8H-Dibenzo(b,f)isoxazolo(4,5-d)azepine, 3a,12b-dihydro-8-(3-(dimethylamino)-2-methylpropyl)-3-phenyl-, hydrochloride
CID 24837514
8H-Dibenzo(b,f)isoxazolo(4,5-d)azepine, 3a,12b-dihydro-8-(3-(dimethylamino)propyl)-3-phenyl-, hydrochloride
CID 24837515
5-[4-(4-Benzylpiperazin-1-yl)phenyl]-3-propyl-4,5-dihydro-1,2-oxazole
CID 44444707
3,4-bis(4-fluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole
CID 172451028
3,4,5-triphenyl-5H-1,2,4-oxadiazole
CID 10990238
4-Methyl-2,5-diphenyl-3,6-dihydro-2H-1,2-oxazine
CID 370852
N-benzyloxy-1-methyl-2,6-bis(p-tolyl)piperidin-4-imine
CID 16728364
3,6-diphenyl-4-[4-(trifluoromethyl)phenyl]-2H-1,3-oxazin-3-ium
CID 21342497
4-fluoro-N-(2-phenylethyl)-N-phenylmethoxyaniline
CID 91569363
N-(2-cyclohexylethyl)-4-[C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]aniline
CID 123527116
N-(2-cyclohexylethyl)-4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]aniline
CID 172935227

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine?
The IUPAC name of 3-(4-methylphenyl)-5,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine (CID 134997116) is 3-(4-methylphenyl)-5,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine.
What is the SMILES notation for 3-(4-methylphenyl)-5,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine?
The canonical SMILES for 3-(4-methylphenyl)-5,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine is Cc1ccc(C2=NOC(c3ccccc3)N(c3ccccc3)C2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine?
The InChIKey is XYPLIKAPMCYRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-17-12-14-18(15-13-17)21-16-24(20-10-6-3-7-11-20)22(25-23-21)19-8-4-2-5-9-19/h2-15,22H,16H2,1H3.
What are the key properties of 3-(4-methylphenyl)-5,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine?
3-(4-methylphenyl)-5,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine has a molecular weight of 328.42 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine is sourced from PubChem (CID 134997116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).