2-[4-(dimethylamino)phenyl]-5,6-diphenyl-1,3-oxazin-4-one

C24H20N2O2 — CID 12995478

IUPAC2-[4-(dimethylamino)phenyl]-5,6-diphenyl-1,3-oxazin-4-one
SMILESCN(C)c1ccc(-c2nc(=O)c(-c3ccccc3)c(-c3ccccc3)o2)cc1
InChIInChI=1S/C24H20N2O2/c1-26(2)20-15-13-19(14-16-20)24-25-23(27)21(17-9-5-3-6-10-17)22(28-24)18-11-7-4-8-12-18/h3-16H,1-2H3
InChIKeyHMIPJSPWEBGGQD-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.10
Rot. Bonds4

About 2-[4-(dimethylamino)phenyl]-5,6-diphenyl-1,3-oxazin-4-one

2-[4-(dimethylamino)phenyl]-5,6-diphenyl-1,3-oxazin-4-one (PubChem CID 12995478) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-5,6-diphenyl-1,3-oxazin-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-5,6-diphenyl-1,3-oxazin-4-one
PubChem CID12995478
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name2-[4-(dimethylamino)phenyl]-5,6-diphenyl-1,3-oxazin-4-one
SMILESCN(C)c1ccc(-c2nc(=O)c(-c3ccccc3)c(-c3ccccc3)o2)cc1
InChIInChI=1S/C24H20N2O2/c1-26(2)20-15-13-19(14-16-20)24-25-23(27)21(17-9-5-3-6-10-17)22(28-24)18-11-7-4-8-12-18/h3-16H,1-2H3
InChIKeyHMIPJSPWEBGGQD-UHFFFAOYSA-N
XLogP5.10
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-5,6-diphenyl-1,3-oxazin-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-5,6-diphenyl-1,3-oxazin-4-one (CID 12995478) is 2-[4-(dimethylamino)phenyl]-5,6-diphenyl-1,3-oxazin-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-5,6-diphenyl-1,3-oxazin-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-5,6-diphenyl-1,3-oxazin-4-one is CN(C)c1ccc(-c2nc(=O)c(-c3ccccc3)c(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-5,6-diphenyl-1,3-oxazin-4-one?
The InChIKey is HMIPJSPWEBGGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-26(2)20-15-13-19(14-16-20)24-25-23(27)21(17-9-5-3-6-10-17)22(28-24)18-11-7-4-8-12-18/h3-16H,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-5,6-diphenyl-1,3-oxazin-4-one?
2-[4-(dimethylamino)phenyl]-5,6-diphenyl-1,3-oxazin-4-one has a molecular weight of 368.44 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-5,6-diphenyl-1,3-oxazin-4-one is sourced from PubChem (CID 12995478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).