4-(2,4-dichlorophenyl)-2,6-diphenyl-4H-1,3,5-oxadiazine

C21H14Cl2N2O — CID 15311758

IUPAC4-(2,4-dichlorophenyl)-2,6-diphenyl-4H-1,3,5-oxadiazine
SMILESClc1ccc(C2N=C(c3ccccc3)OC(c3ccccc3)=N2)c(Cl)c1
InChIInChI=1S/C21H14Cl2N2O/c22-16-11-12-17(18(23)13-16)19-24-20(14-7-3-1-4-8-14)26-21(25-19)15-9-5-2-6-10-15/h1-13,19H
InChIKeyFNBUGVFWKPTYKR-UHFFFAOYSA-N
MW381.26 g/mol
LogP5.92
Rot. Bonds3

About 4-(2,4-dichlorophenyl)-2,6-diphenyl-4H-1,3,5-oxadiazine

4-(2,4-dichlorophenyl)-2,6-diphenyl-4H-1,3,5-oxadiazine (PubChem CID 15311758) has the molecular formula C21H14Cl2N2O and a molecular weight of 381.26 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2,6-diphenyl-4H-1,3,5-oxadiazine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2,6-diphenyl-4H-1,3,5-oxadiazine
PubChem CID15311758
Molecular FormulaC21H14Cl2N2O
Molecular Weight381.26 g/mol
Exact Mass380.05
IUPAC Name4-(2,4-dichlorophenyl)-2,6-diphenyl-4H-1,3,5-oxadiazine
SMILESClc1ccc(C2N=C(c3ccccc3)OC(c3ccccc3)=N2)c(Cl)c1
InChIInChI=1S/C21H14Cl2N2O/c22-16-11-12-17(18(23)13-16)19-24-20(14-7-3-1-4-8-14)26-21(25-19)15-9-5-2-6-10-15/h1-13,19H
InChIKeyFNBUGVFWKPTYKR-UHFFFAOYSA-N
XLogP5.92
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.26
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-Dichlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414769
2-(2,6-Dichlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414804
4-(2,4-Dichlorophenyl)-2-phenyl-4,5-dihydrooxazole
CID 146025885
2-(4-Chlorophenyl)-6-(2,4-dichlorophenyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
CID 5146390
4-(4-chlorophenyl)-2,6-diphenyl-4H-1,3-oxazine
CID 3545916
2-(4-chlorophenyl)-4,6-diphenyl-4H-1,3-oxazine
CID 4347802
1-(4-chlorophenyl)-N-[(4-chlorophenyl)-methoxymethyl]methanimine
CID 21605112
(E)-N-[(2,4-dichlorophenyl)methoxy]-1-(2,5-diphenyl-2H-imidazol-4-yl)methanimine
CID 71492480
(E)-1-[5-(4-chlorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2,4-dichlorophenyl)methoxy]methanimine
CID 71493004
2-(4-chlorophenyl)-4-(4-methylphenyl)-6-phenyl-4H-1,3-oxazine
CID 85546050
(4R)-2-(4-chlorophenyl)-4,6-diphenyl-4H-1,3-oxazine
CID 92198749
(4S)-2-(4-chlorophenyl)-4,6-diphenyl-4H-1,3-oxazine
CID 92265711

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2,6-diphenyl-4H-1,3,5-oxadiazine?
The IUPAC name of 4-(2,4-dichlorophenyl)-2,6-diphenyl-4H-1,3,5-oxadiazine (CID 15311758) is 4-(2,4-dichlorophenyl)-2,6-diphenyl-4H-1,3,5-oxadiazine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2,6-diphenyl-4H-1,3,5-oxadiazine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2,6-diphenyl-4H-1,3,5-oxadiazine is Clc1ccc(C2N=C(c3ccccc3)OC(c3ccccc3)=N2)c(Cl)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-2,6-diphenyl-4H-1,3,5-oxadiazine?
The InChIKey is FNBUGVFWKPTYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O/c22-16-11-12-17(18(23)13-16)19-24-20(14-7-3-1-4-8-14)26-21(25-19)15-9-5-2-6-10-15/h1-13,19H.
What are the key properties of 4-(2,4-dichlorophenyl)-2,6-diphenyl-4H-1,3,5-oxadiazine?
4-(2,4-dichlorophenyl)-2,6-diphenyl-4H-1,3,5-oxadiazine has a molecular weight of 381.26 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-2,6-diphenyl-4H-1,3,5-oxadiazine is sourced from PubChem (CID 15311758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).