5-[1-methyl-6-(3-pyridin-2-yloxyphenyl)pyridin-1-ium-2-yl]-2-phenyl-1,3-oxazole

C26H20N3O2+ — CID 140871070

IUPAC5-[1-methyl-6-(3-pyridin-2-yloxyphenyl)pyridin-1-ium-2-yl]-2-phenyl-1,3-oxazole
SMILESC[n+]1c(-c2cccc(Oc3ccccn3)c2)cccc1-c1cnc(-c2ccccc2)o1
InChIInChI=1S/C26H20N3O2/c1-29-22(20-11-7-12-21(17-20)30-25-15-5-6-16-27-25)13-8-14-23(29)24-18-28-26(31-24)19-9-3-2-4-10-19/h2-18H,1H3/q+1
InChIKeyRVIRDRCTLBSFET-UHFFFAOYSA-N
MW406.47 g/mol
LogP5.69
Rot. Bonds5

About 5-[1-methyl-6-(3-pyridin-2-yloxyphenyl)pyridin-1-ium-2-yl]-2-phenyl-1,3-oxazole

5-[1-methyl-6-(3-pyridin-2-yloxyphenyl)pyridin-1-ium-2-yl]-2-phenyl-1,3-oxazole (PubChem CID 140871070) has the molecular formula C26H20N3O2+ and a molecular weight of 406.47 g/mol. Its IUPAC name is 5-[1-methyl-6-(3-pyridin-2-yloxyphenyl)pyridin-1-ium-2-yl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-[1-methyl-6-(3-pyridin-2-yloxyphenyl)pyridin-1-ium-2-yl]-2-phenyl-1,3-oxazole
PubChem CID140871070
Molecular FormulaC26H20N3O2+
Molecular Weight406.47 g/mol
Exact Mass406.16
IUPAC Name5-[1-methyl-6-(3-pyridin-2-yloxyphenyl)pyridin-1-ium-2-yl]-2-phenyl-1,3-oxazole
SMILESC[n+]1c(-c2cccc(Oc3ccccn3)c2)cccc1-c1cnc(-c2ccccc2)o1
InChIInChI=1S/C26H20N3O2/c1-29-22(20-11-7-12-21(17-20)30-25-15-5-6-16-27-25)13-8-14-23(29)24-18-28-26(31-24)19-9-3-2-4-10-19/h2-18H,1H3/q+1
InChIKeyRVIRDRCTLBSFET-UHFFFAOYSA-N
XLogP5.69
TPSA52.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.47
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[1-methyl-6-(3-pyridin-2-yloxyphenyl)pyridin-1-ium-2-yl]-2-phenyl-1,3-oxazole 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

OL-135
CID 10427006
1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]-7-[3-(trifluoromethyl)phenyl]heptan-1-one
CID 16735158
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-(benzyloxy)phenyl)propane
CID 16735159
3-(4-(Phenoxymethyl)phenyl)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16736226
3-(4-Phenylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]propan-1-one
CID 16737951
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(3-(benzyloxy)phenyl)-propane
CID 16735160
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-phenoxyphenyl)propane
CID 16735161
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-benzylphenyl)propane
CID 16735162
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-hexylphenyl)heptane
CID 16735350
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(1-naphthyl)heptane
CID 16735380
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(o-tolyl)heptane
CID 16735381
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(p-tolyl)heptane
CID 16735382

Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-6-(3-pyridin-2-yloxyphenyl)pyridin-1-ium-2-yl]-2-phenyl-1,3-oxazole?
The IUPAC name of 5-[1-methyl-6-(3-pyridin-2-yloxyphenyl)pyridin-1-ium-2-yl]-2-phenyl-1,3-oxazole (CID 140871070) is 5-[1-methyl-6-(3-pyridin-2-yloxyphenyl)pyridin-1-ium-2-yl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-[1-methyl-6-(3-pyridin-2-yloxyphenyl)pyridin-1-ium-2-yl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-[1-methyl-6-(3-pyridin-2-yloxyphenyl)pyridin-1-ium-2-yl]-2-phenyl-1,3-oxazole is C[n+]1c(-c2cccc(Oc3ccccn3)c2)cccc1-c1cnc(-c2ccccc2)o1.
What is the InChIKey of 5-[1-methyl-6-(3-pyridin-2-yloxyphenyl)pyridin-1-ium-2-yl]-2-phenyl-1,3-oxazole?
The InChIKey is RVIRDRCTLBSFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N3O2/c1-29-22(20-11-7-12-21(17-20)30-25-15-5-6-16-27-25)13-8-14-23(29)24-18-28-26(31-24)19-9-3-2-4-10-19/h2-18H,1H3/q+1.
What are the key properties of 5-[1-methyl-6-(3-pyridin-2-yloxyphenyl)pyridin-1-ium-2-yl]-2-phenyl-1,3-oxazole?
5-[1-methyl-6-(3-pyridin-2-yloxyphenyl)pyridin-1-ium-2-yl]-2-phenyl-1,3-oxazole has a molecular weight of 406.47 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-6-(3-pyridin-2-yloxyphenyl)pyridin-1-ium-2-yl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 140871070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).