4-hydroxy-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-6-one

C24H18NO3+ — CID 135499854

IUPAC4-hydroxy-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-6-one
SMILESO=c1oc(/C=C/c2ccccc2)[n+](-c2ccccc2)c(O)c1-c1ccccc1
InChIInChI=1S/C24H17NO3/c26-23-22(19-12-6-2-7-13-19)24(27)28-21(17-16-18-10-4-1-5-11-18)25(23)20-14-8-3-9-15-20/h1-17H/p+1/b17-16+
InChIKeyATAXFHNHFZKWJA-WUKNDPDISA-O
MW368.41 g/mol
LogP4.46
Rot. Bonds4

About 4-hydroxy-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-6-one

4-hydroxy-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-6-one (PubChem CID 135499854) has the molecular formula C24H18NO3+ and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-hydroxy-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-6-one.

Molecular Properties

Compound Name4-hydroxy-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-6-one
PubChem CID135499854
Molecular FormulaC24H18NO3+
Molecular Weight368.41 g/mol
Exact Mass368.13
IUPAC Name4-hydroxy-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-6-one
SMILESO=c1oc(/C=C/c2ccccc2)[n+](-c2ccccc2)c(O)c1-c1ccccc1
InChIInChI=1S/C24H17NO3/c26-23-22(19-12-6-2-7-13-19)24(27)28-21(17-16-18-10-4-1-5-11-18)25(23)20-14-8-3-9-15-20/h1-17H/p+1/b17-16+
InChIKeyATAXFHNHFZKWJA-WUKNDPDISA-O
XLogP4.46
TPSA54.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-hydroxy-6-oxo-1,4-diphenyl-1,6-dihydropyridine-3-carboxylate
CID 136051887
6-Oxo-2,3,5-triphenyl-1,3-oxazin-3-ium-4-olate
CID 12445228
ethyl (Z)-2,3-diphenyl-3-(N-phenylanilino)prop-2-enoate
CID 101519362
t-Butyl 2-hydroxy-6-oxo-1,4-diphenyl-1,6-dihydropyridine-3-carboxylate
CID 145865574
5-[4-(Dimethylamino)phenyl]-3,6-diphenylpyran-2-one
CID 164685894
5-Benzyl-6-oxo-2,3-diphenyl-1,3-oxazin-3-ium-4-olate
CID 2784925
5-benzyl-6-oxo-3-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate
CID 11269034
6-oxo-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate
CID 11485432
methyl (Z)-3-anilino-2,3-diphenylprop-2-enoate
CID 21788796
4-hydroxy-5-methylidene-3-[4-(N-phenylanilino)phenyl]furan-2-one
CID 144723574
3-[4-(N-phenylanilino)phenyl]furan-2,5-dione
CID 153723249
N,N-diphenylaniline;2-phenylacetic acid
CID 162173995

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-6-one?
The IUPAC name of 4-hydroxy-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-6-one (CID 135499854) is 4-hydroxy-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-6-one.
What is the SMILES notation for 4-hydroxy-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-6-one?
The canonical SMILES for 4-hydroxy-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-6-one is O=c1oc(/C=C/c2ccccc2)[n+](-c2ccccc2)c(O)c1-c1ccccc1.
What is the InChIKey of 4-hydroxy-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-6-one?
The InChIKey is ATAXFHNHFZKWJA-WUKNDPDISA-O. The full InChI is InChI=1S/C24H17NO3/c26-23-22(19-12-6-2-7-13-19)24(27)28-21(17-16-18-10-4-1-5-11-18)25(23)20-14-8-3-9-15-20/h1-17H/p+1/b17-16+.
What are the key properties of 4-hydroxy-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-6-one?
4-hydroxy-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-6-one has a molecular weight of 368.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-6-one is sourced from PubChem (CID 135499854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).