2,3,6-triphenyl-2H-1,3-oxazin-4-one

C22H17NO2 — CID 4663642

IUPAC2,3,6-triphenyl-2H-1,3-oxazin-4-one
SMILESO=C1C=C(c2ccccc2)OC(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C22H17NO2/c24-21-16-20(17-10-4-1-5-11-17)25-22(18-12-6-2-7-13-18)23(21)19-14-8-3-9-15-19/h1-16,22H
InChIKeyCJVCVCPYIZVRLD-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.79
Rot. Bonds3

About 2,3,6-triphenyl-2H-1,3-oxazin-4-one

2,3,6-triphenyl-2H-1,3-oxazin-4-one (PubChem CID 4663642) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2,3,6-triphenyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name2,3,6-triphenyl-2H-1,3-oxazin-4-one
PubChem CID4663642
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name2,3,6-triphenyl-2H-1,3-oxazin-4-one
SMILESO=C1C=C(c2ccccc2)OC(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C22H17NO2/c24-21-16-20(17-10-4-1-5-11-17)25-22(18-12-6-2-7-13-18)23(21)19-14-8-3-9-15-19/h1-16,22H
InChIKeyCJVCVCPYIZVRLD-UHFFFAOYSA-N
XLogP4.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-triphenyl-2H-1,3-oxazin-4-one?
The IUPAC name of 2,3,6-triphenyl-2H-1,3-oxazin-4-one (CID 4663642) is 2,3,6-triphenyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 2,3,6-triphenyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 2,3,6-triphenyl-2H-1,3-oxazin-4-one is O=C1C=C(c2ccccc2)OC(c2ccccc2)N1c1ccccc1.
What is the InChIKey of 2,3,6-triphenyl-2H-1,3-oxazin-4-one?
The InChIKey is CJVCVCPYIZVRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c24-21-16-20(17-10-4-1-5-11-17)25-22(18-12-6-2-7-13-18)23(21)19-14-8-3-9-15-19/h1-16,22H.
What are the key properties of 2,3,6-triphenyl-2H-1,3-oxazin-4-one?
2,3,6-triphenyl-2H-1,3-oxazin-4-one has a molecular weight of 327.38 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-triphenyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 4663642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).