2-(dibenzylamino)-6-phenyl-1,3-oxazin-4-one

C24H20N2O2 — CID 13299102

IUPAC2-(dibenzylamino)-6-phenyl-1,3-oxazin-4-one
SMILESO=c1cc(-c2ccccc2)oc(N(Cc2ccccc2)Cc2ccccc2)n1
InChIInChI=1S/C24H20N2O2/c27-23-16-22(21-14-8-3-9-15-21)28-24(25-23)26(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-16H,17-18H2
InChIKeyYZRXJTMVVIIKSC-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.91
Rot. Bonds6

About 2-(dibenzylamino)-6-phenyl-1,3-oxazin-4-one

2-(dibenzylamino)-6-phenyl-1,3-oxazin-4-one (PubChem CID 13299102) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(dibenzylamino)-6-phenyl-1,3-oxazin-4-one.

Molecular Properties

Compound Name2-(dibenzylamino)-6-phenyl-1,3-oxazin-4-one
PubChem CID13299102
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name2-(dibenzylamino)-6-phenyl-1,3-oxazin-4-one
SMILESO=c1cc(-c2ccccc2)oc(N(Cc2ccccc2)Cc2ccccc2)n1
InChIInChI=1S/C24H20N2O2/c27-23-16-22(21-14-8-3-9-15-21)28-24(25-23)26(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-16H,17-18H2
InChIKeyYZRXJTMVVIIKSC-UHFFFAOYSA-N
XLogP4.91
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-6-phenyl-1,3-oxazin-4-one?
The IUPAC name of 2-(dibenzylamino)-6-phenyl-1,3-oxazin-4-one (CID 13299102) is 2-(dibenzylamino)-6-phenyl-1,3-oxazin-4-one.
What is the SMILES notation for 2-(dibenzylamino)-6-phenyl-1,3-oxazin-4-one?
The canonical SMILES for 2-(dibenzylamino)-6-phenyl-1,3-oxazin-4-one is O=c1cc(-c2ccccc2)oc(N(Cc2ccccc2)Cc2ccccc2)n1.
What is the InChIKey of 2-(dibenzylamino)-6-phenyl-1,3-oxazin-4-one?
The InChIKey is YZRXJTMVVIIKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c27-23-16-22(21-14-8-3-9-15-21)28-24(25-23)26(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-16H,17-18H2.
What are the key properties of 2-(dibenzylamino)-6-phenyl-1,3-oxazin-4-one?
2-(dibenzylamino)-6-phenyl-1,3-oxazin-4-one has a molecular weight of 368.44 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-6-phenyl-1,3-oxazin-4-one is sourced from PubChem (CID 13299102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).