4-(2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-4-yl)benzonitrile

C23H18N2O — CID 10616982

IUPAC4-(2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-4-yl)benzonitrile
SMILESN#Cc1ccc(C2CC(c3ccccc3)OC(c3ccccc3)=N2)cc1
InChIInChI=1S/C23H18N2O/c24-16-17-11-13-18(14-12-17)21-15-22(19-7-3-1-4-8-19)26-23(25-21)20-9-5-2-6-10-20/h1-14,21-22H,15H2
InChIKeyZBNMSZLDFMYNPS-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.21
Rot. Bonds3

About 4-(2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-4-yl)benzonitrile

4-(2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-4-yl)benzonitrile (PubChem CID 10616982) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-(2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-4-yl)benzonitrile.

Molecular Properties

Compound Name4-(2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-4-yl)benzonitrile
PubChem CID10616982
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name4-(2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-4-yl)benzonitrile
SMILESN#Cc1ccc(C2CC(c3ccccc3)OC(c3ccccc3)=N2)cc1
InChIInChI=1S/C23H18N2O/c24-16-17-11-13-18(14-12-17)21-15-22(19-7-3-1-4-8-19)26-23(25-21)20-9-5-2-6-10-20/h1-14,21-22H,15H2
InChIKeyZBNMSZLDFMYNPS-UHFFFAOYSA-N
XLogP5.21
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,6R)-4-(4-nitrophenyl)-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazine
CID 71444866
4-[(4R,5S,6R)-5-methyl-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-4-yl]benzonitrile
CID 10545942
(4R,6R)-6-cyclohexyloxy-2,4-diphenyl-5,6-dihydro-4H-1,3-oxazine
CID 101030852
4-[(5S)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]benzonitrile
CID 2358226
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
4-[(2R)-4-oxo-2,3-dihydrochromen-2-yl]benzonitrile
CID 25136970
(4S,6R)-4-(4-methylphenyl)-6-octadecyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 98766627
6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile
CID 100993952
4-[(3S)-1-oxo-3,4-dihydroisochromen-3-yl]benzonitrile
CID 7055598
5-phenyl-2-[4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 127262929
4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline
CID 89120771
4-[(2R)-5-oxo-2,4-diphenyl-2H-furan-3-yl]benzonitrile
CID 86338758

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-4-yl)benzonitrile?
The IUPAC name of 4-(2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-4-yl)benzonitrile (CID 10616982) is 4-(2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-4-yl)benzonitrile.
What is the SMILES notation for 4-(2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-4-yl)benzonitrile?
The canonical SMILES for 4-(2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-4-yl)benzonitrile is N#Cc1ccc(C2CC(c3ccccc3)OC(c3ccccc3)=N2)cc1.
What is the InChIKey of 4-(2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-4-yl)benzonitrile?
The InChIKey is ZBNMSZLDFMYNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c24-16-17-11-13-18(14-12-17)21-15-22(19-7-3-1-4-8-19)26-23(25-21)20-9-5-2-6-10-20/h1-14,21-22H,15H2.
What are the key properties of 4-(2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-4-yl)benzonitrile?
4-(2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-4-yl)benzonitrile has a molecular weight of 338.41 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-4-yl)benzonitrile is sourced from PubChem (CID 10616982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).