6-(4-methylphenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one

C23H19NO2 — CID 15570593

IUPAC6-(4-methylphenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one
SMILESCc1ccc(C2=CC(=O)N(c3ccccc3)C(c3ccccc3)O2)cc1
InChIInChI=1S/C23H19NO2/c1-17-12-14-18(15-13-17)21-16-22(25)24(20-10-6-3-7-11-20)23(26-21)19-8-4-2-5-9-19/h2-16,23H,1H3
InChIKeyMLZYLQFRDVSOLF-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.10
Rot. Bonds3

About 6-(4-methylphenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one

6-(4-methylphenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one (PubChem CID 15570593) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one
PubChem CID15570593
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name6-(4-methylphenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one
SMILESCc1ccc(C2=CC(=O)N(c3ccccc3)C(c3ccccc3)O2)cc1
InChIInChI=1S/C23H19NO2/c1-17-12-14-18(15-13-17)21-16-22(25)24(20-10-6-3-7-11-20)23(26-21)19-8-4-2-5-9-19/h2-16,23H,1H3
InChIKeyMLZYLQFRDVSOLF-UHFFFAOYSA-N
XLogP5.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one?
The IUPAC name of 6-(4-methylphenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one (CID 15570593) is 6-(4-methylphenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 6-(4-methylphenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 6-(4-methylphenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one is Cc1ccc(C2=CC(=O)N(c3ccccc3)C(c3ccccc3)O2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one?
The InChIKey is MLZYLQFRDVSOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-17-12-14-18(15-13-17)21-16-22(25)24(20-10-6-3-7-11-20)23(26-21)19-8-4-2-5-9-19/h2-16,23H,1H3.
What are the key properties of 6-(4-methylphenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one?
6-(4-methylphenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one has a molecular weight of 341.41 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 15570593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).