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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Related Compounds

6-(4-chlorophenyl)-2,3-diphenyl-2H-1,3-oxazin-4-one
CID 15570594
(2R)-2,6-diphenyl-1,3-dioxin-4-one
CID 806114
4-(4-methylphenyl)-1-phenylazetidine-2,3-dione
CID 14084640
(4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one
CID 177461861
2,3,5-triphenyl-2H-1,3-oxazole-4-carbonitrile
CID 12523560
(3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one
CID 154718550
6-tert-butyl-5-(2,2-dimethylpropanoyl)-2,3-diphenyl-2H-1,3-oxazin-4-one
CID 11811242
4-[4-(4-methylphenyl)-5-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid
CID 101241650
5-(4-methylphenyl)-1-phenylimidazolidine-2,4-dione
CID 23244322
(2S)-3-(4-methoxyphenyl)-6-methyl-2,5-diphenyl-2H-1,3-oxazin-4-one
CID 7311784
ethyl 2-(4-methylphenyl)-6-oxo-1,3-diphenyl-2H-pyrimidine-4-carboxylate
CID 102408060
1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one
CID 156769473

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).