2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazin-6-one

C16H12N2O2 — CID 11021744

IUPAC2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazin-6-one
SMILESCc1ccc(-c2nnc(-c3ccccc3)c(=O)o2)cc1
InChIInChI=1S/C16H12N2O2/c1-11-7-9-13(10-8-11)15-18-17-14(16(19)20-15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyVWOWXMXWUJXILE-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.07
Rot. Bonds2

About 2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazin-6-one

2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazin-6-one (PubChem CID 11021744) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazin-6-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazin-6-one
PubChem CID11021744
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazin-6-one
SMILESCc1ccc(-c2nnc(-c3ccccc3)c(=O)o2)cc1
InChIInChI=1S/C16H12N2O2/c1-11-7-9-13(10-8-11)15-18-17-14(16(19)20-15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyVWOWXMXWUJXILE-UHFFFAOYSA-N
XLogP3.07
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
1-(4-methylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 828968
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
2-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59501428
1-(4-methylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
CID 4814019
2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;toluene
CID 157157668
2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole
CID 132584993
2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3170416
N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 16854555
2-[2-(4-methylphenoxy)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 23613653

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazin-6-one?
The IUPAC name of 2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazin-6-one (CID 11021744) is 2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazin-6-one.
What is the SMILES notation for 2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazin-6-one?
The canonical SMILES for 2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazin-6-one is Cc1ccc(-c2nnc(-c3ccccc3)c(=O)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazin-6-one?
The InChIKey is VWOWXMXWUJXILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-11-7-9-13(10-8-11)15-18-17-14(16(19)20-15)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazin-6-one?
2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazin-6-one has a molecular weight of 264.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazin-6-one is sourced from PubChem (CID 11021744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).