2,6,6-triphenyl-4,5-dihydro-1,3-oxazine

C22H19NO — CID 601932

IUPAC2,6,6-triphenyl-4,5-dihydro-1,3-oxazine
SMILESc1ccc(C2=NCCC(c3ccccc3)(c3ccccc3)O2)cc1
InChIInChI=1S/C22H19NO/c1-4-10-18(11-5-1)21-23-17-16-22(24-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyWUSXDGZVGWMVMB-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.80
Rot. Bonds3

About 2,6,6-triphenyl-4,5-dihydro-1,3-oxazine

2,6,6-triphenyl-4,5-dihydro-1,3-oxazine (PubChem CID 601932) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 2,6,6-triphenyl-4,5-dihydro-1,3-oxazine.

Molecular Properties

Compound Name2,6,6-triphenyl-4,5-dihydro-1,3-oxazine
PubChem CID601932
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name2,6,6-triphenyl-4,5-dihydro-1,3-oxazine
SMILESc1ccc(C2=NCCC(c3ccccc3)(c3ccccc3)O2)cc1
InChIInChI=1S/C22H19NO/c1-4-10-18(11-5-1)21-23-17-16-22(24-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyWUSXDGZVGWMVMB-UHFFFAOYSA-N
XLogP4.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6,6-triphenyl-4,5-dihydro-1,3-oxazine?
The IUPAC name of 2,6,6-triphenyl-4,5-dihydro-1,3-oxazine (CID 601932) is 2,6,6-triphenyl-4,5-dihydro-1,3-oxazine.
What is the SMILES notation for 2,6,6-triphenyl-4,5-dihydro-1,3-oxazine?
The canonical SMILES for 2,6,6-triphenyl-4,5-dihydro-1,3-oxazine is c1ccc(C2=NCCC(c3ccccc3)(c3ccccc3)O2)cc1.
What is the InChIKey of 2,6,6-triphenyl-4,5-dihydro-1,3-oxazine?
The InChIKey is WUSXDGZVGWMVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-4-10-18(11-5-1)21-23-17-16-22(24-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2.
What are the key properties of 2,6,6-triphenyl-4,5-dihydro-1,3-oxazine?
2,6,6-triphenyl-4,5-dihydro-1,3-oxazine has a molecular weight of 313.40 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-triphenyl-4,5-dihydro-1,3-oxazine is sourced from PubChem (CID 601932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).