3,4,5-tris(4-methoxyphenyl)-2-phenyl-1,3-oxazol-3-ium

C30H26NO4+ — CID 154596514

IUPAC3,4,5-tris(4-methoxyphenyl)-2-phenyl-1,3-oxazol-3-ium
SMILESCOc1ccc(-c2oc(-c3ccccc3)[n+](-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H26NO4/c1-32-25-15-9-21(10-16-25)28-29(22-11-17-26(33-2)18-12-22)35-30(23-7-5-4-6-8-23)31(28)24-13-19-27(34-3)20-14-24/h4-20H,1-3H3/q+1
InChIKeyJDOGMFYVGXHPTH-UHFFFAOYSA-N
MW464.54 g/mol
LogP6.58
Rot. Bonds7

About 3,4,5-tris(4-methoxyphenyl)-2-phenyl-1,3-oxazol-3-ium

3,4,5-tris(4-methoxyphenyl)-2-phenyl-1,3-oxazol-3-ium (PubChem CID 154596514) has the molecular formula C30H26NO4+ and a molecular weight of 464.54 g/mol. Its IUPAC name is 3,4,5-tris(4-methoxyphenyl)-2-phenyl-1,3-oxazol-3-ium.

Molecular Properties

Compound Name3,4,5-tris(4-methoxyphenyl)-2-phenyl-1,3-oxazol-3-ium
PubChem CID154596514
Molecular FormulaC30H26NO4+
Molecular Weight464.54 g/mol
Exact Mass464.19
IUPAC Name3,4,5-tris(4-methoxyphenyl)-2-phenyl-1,3-oxazol-3-ium
SMILESCOc1ccc(-c2oc(-c3ccccc3)[n+](-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H26NO4/c1-32-25-15-9-21(10-16-25)28-29(22-11-17-26(33-2)18-12-22)35-30(23-7-5-4-6-8-23)31(28)24-13-19-27(34-3)20-14-24/h4-20H,1-3H3/q+1
InChIKeyJDOGMFYVGXHPTH-UHFFFAOYSA-N
XLogP6.58
TPSA44.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.54
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,4,5-tris(4-methoxyphenyl)-2-phenyl-1,3-oxazol-3-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-oxido-4-phenyl-1,3-oxazol-3-ium-3-yl]phenyl]-4-phenyl-1,3-oxazol-3-ium-5-olate
CID 177453116
4-(4-methoxyphenyl)-3-[4-[4-(4-methoxyphenyl)-5-oxido-2-phenyl-1,3-oxazol-3-ium-3-yl]phenyl]-2-phenyl-1,3-oxazol-3-ium-5-olate
CID 177472028
1-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium
CID 12925199
5-(4-methoxyphenyl)-2,3-diphenylfuran
CID 2733040
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2,2,2-trifluoro-1-[5-hydroxy-2-(4-methoxyphenyl)-3-phenyl-1,3-oxazol-3-ium-4-yl]ethanone
CID 10882993
2-(4-methoxyphenyl)-1-methyl-3-phenylisoquinolin-2-ium iodide
CID 139256167
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran
CID 71608239
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile
CID 10391863
2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole
CID 54104212
1-methoxy-4-phenylbenzene cyanide
CID 159561637

Frequently Asked Questions

What is the IUPAC name of 3,4,5-tris(4-methoxyphenyl)-2-phenyl-1,3-oxazol-3-ium?
The IUPAC name of 3,4,5-tris(4-methoxyphenyl)-2-phenyl-1,3-oxazol-3-ium (CID 154596514) is 3,4,5-tris(4-methoxyphenyl)-2-phenyl-1,3-oxazol-3-ium.
What is the SMILES notation for 3,4,5-tris(4-methoxyphenyl)-2-phenyl-1,3-oxazol-3-ium?
The canonical SMILES for 3,4,5-tris(4-methoxyphenyl)-2-phenyl-1,3-oxazol-3-ium is COc1ccc(-c2oc(-c3ccccc3)[n+](-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3,4,5-tris(4-methoxyphenyl)-2-phenyl-1,3-oxazol-3-ium?
The InChIKey is JDOGMFYVGXHPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26NO4/c1-32-25-15-9-21(10-16-25)28-29(22-11-17-26(33-2)18-12-22)35-30(23-7-5-4-6-8-23)31(28)24-13-19-27(34-3)20-14-24/h4-20H,1-3H3/q+1.
What are the key properties of 3,4,5-tris(4-methoxyphenyl)-2-phenyl-1,3-oxazol-3-ium?
3,4,5-tris(4-methoxyphenyl)-2-phenyl-1,3-oxazol-3-ium has a molecular weight of 464.54 g/mol, XLogP of 6.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tris(4-methoxyphenyl)-2-phenyl-1,3-oxazol-3-ium is sourced from PubChem (CID 154596514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).