2,4,4-triphenyl-5H-1,3-oxazin-6-one

C22H17NO2 — CID 570014

IUPAC2,4,4-triphenyl-5H-1,3-oxazin-6-one
SMILESO=C1CC(c2ccccc2)(c2ccccc2)N=C(c2ccccc2)O1
InChIInChI=1S/C22H17NO2/c24-20-16-22(18-12-6-2-7-13-18,19-14-8-3-9-15-19)23-21(25-20)17-10-4-1-5-11-17/h1-15H,16H2
InChIKeyRZQDWCNHNBDZHI-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.32
Rot. Bonds3

About 2,4,4-triphenyl-5H-1,3-oxazin-6-one

2,4,4-triphenyl-5H-1,3-oxazin-6-one (PubChem CID 570014) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2,4,4-triphenyl-5H-1,3-oxazin-6-one.

Molecular Properties

Compound Name2,4,4-triphenyl-5H-1,3-oxazin-6-one
PubChem CID570014
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name2,4,4-triphenyl-5H-1,3-oxazin-6-one
SMILESO=C1CC(c2ccccc2)(c2ccccc2)N=C(c2ccccc2)O1
InChIInChI=1S/C22H17NO2/c24-20-16-22(18-12-6-2-7-13-18,19-14-8-3-9-15-19)23-21(25-20)17-10-4-1-5-11-17/h1-15H,16H2
InChIKeyRZQDWCNHNBDZHI-UHFFFAOYSA-N
XLogP4.32
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-triphenyl-5H-1,3-oxazin-6-one?
The IUPAC name of 2,4,4-triphenyl-5H-1,3-oxazin-6-one (CID 570014) is 2,4,4-triphenyl-5H-1,3-oxazin-6-one.
What is the SMILES notation for 2,4,4-triphenyl-5H-1,3-oxazin-6-one?
The canonical SMILES for 2,4,4-triphenyl-5H-1,3-oxazin-6-one is O=C1CC(c2ccccc2)(c2ccccc2)N=C(c2ccccc2)O1.
What is the InChIKey of 2,4,4-triphenyl-5H-1,3-oxazin-6-one?
The InChIKey is RZQDWCNHNBDZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c24-20-16-22(18-12-6-2-7-13-18,19-14-8-3-9-15-19)23-21(25-20)17-10-4-1-5-11-17/h1-15H,16H2.
What are the key properties of 2,4,4-triphenyl-5H-1,3-oxazin-6-one?
2,4,4-triphenyl-5H-1,3-oxazin-6-one has a molecular weight of 327.38 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-triphenyl-5H-1,3-oxazin-6-one is sourced from PubChem (CID 570014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).