2,4,6-triphenyl-4H-1,3-oxazine

C22H17NO — CID 4225621

IUPAC2,4,6-triphenyl-4H-1,3-oxazine
SMILESC1=C(c2ccccc2)OC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C22H17NO/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)24-22(23-20)19-14-8-3-9-15-19/h1-16,20H
InChIKeyGPQVTMIXFZGKJG-UHFFFAOYSA-N
MW311.38 g/mol
LogP5.25
Rot. Bonds3

About 2,4,6-triphenyl-4H-1,3-oxazine

2,4,6-triphenyl-4H-1,3-oxazine (PubChem CID 4225621) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 2,4,6-triphenyl-4H-1,3-oxazine.

Molecular Properties

Compound Name2,4,6-triphenyl-4H-1,3-oxazine
PubChem CID4225621
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name2,4,6-triphenyl-4H-1,3-oxazine
SMILESC1=C(c2ccccc2)OC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C22H17NO/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)24-22(23-20)19-14-8-3-9-15-19/h1-16,20H
InChIKeyGPQVTMIXFZGKJG-UHFFFAOYSA-N
XLogP5.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Diphenyl-1,3-oxazoline
CID 10889524
Iqagkpdfdjlird-uhfffaoysa-
CID 3732905
(S)-2,4-Diphenyl-4,5-dihydrooxazole
CID 54012743
(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 44550907
(4R,5R)-2-(2-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101797567
(4R,5R)-2-(3-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101797569
(2S)-2-(fluoromethyl)-6-methyl-2,4-diphenyl-1,3-oxazine
CID 139187280
(4R,5S)-4,5-diphenyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 177851342
6-Benzyl-6-fluoro-2-phenyl-4,5-dihydro-1,3-oxazine
CID 177851487
Benzyl(2-(benzyloxy)-1-phenylethyl)azane oxide
CID 6285465
Benzenamine, N-(4,6-diphenyl-2H-pyran-2-ylidene)-
CID 3692712
Ctk2A9483
CID 10657514

Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenyl-4H-1,3-oxazine?
The IUPAC name of 2,4,6-triphenyl-4H-1,3-oxazine (CID 4225621) is 2,4,6-triphenyl-4H-1,3-oxazine.
What is the SMILES notation for 2,4,6-triphenyl-4H-1,3-oxazine?
The canonical SMILES for 2,4,6-triphenyl-4H-1,3-oxazine is C1=C(c2ccccc2)OC(c2ccccc2)=NC1c1ccccc1.
What is the InChIKey of 2,4,6-triphenyl-4H-1,3-oxazine?
The InChIKey is GPQVTMIXFZGKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)24-22(23-20)19-14-8-3-9-15-19/h1-16,20H.
What are the key properties of 2,4,6-triphenyl-4H-1,3-oxazine?
2,4,6-triphenyl-4H-1,3-oxazine has a molecular weight of 311.38 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenyl-4H-1,3-oxazine is sourced from PubChem (CID 4225621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).