3-phenyl-5-[2-(3-phenyl-2H-imidazol-2-id-1-yl)ethyl]-1,2,4-oxadiazole;platinum

C19H15N4OPt-3 — CID 153453722

IUPAC3-phenyl-5-[2-(3-phenyl-2H-imidazol-2-id-1-yl)ethyl]-1,2,4-oxadiazole;platinum
SMILES[Pt].[c-]1ccccc1-c1noc(CCN2C=CN(c3[c-]cccc3)[CH-]2)n1
InChIInChI=1S/C19H15N4O.Pt/c1-3-7-16(8-4-1)19-20-18(24-21-19)11-12-22-13-14-23(15-22)17-9-5-2-6-10-17;/h1-7,9,13-15H,11-12H2;/q-3;
InChIKeyDKYJVOWXJRXBJW-UHFFFAOYSA-N
MW510.43 g/mol
LogP3.29
Rot. Bonds5

About 3-phenyl-5-[2-(3-phenyl-2H-imidazol-2-id-1-yl)ethyl]-1,2,4-oxadiazole;platinum

3-phenyl-5-[2-(3-phenyl-2H-imidazol-2-id-1-yl)ethyl]-1,2,4-oxadiazole;platinum (PubChem CID 153453722) has the molecular formula C19H15N4OPt-3 and a molecular weight of 510.43 g/mol. Its IUPAC name is 3-phenyl-5-[2-(3-phenyl-2H-imidazol-2-id-1-yl)ethyl]-1,2,4-oxadiazole;platinum.

Molecular Properties

Compound Name3-phenyl-5-[2-(3-phenyl-2H-imidazol-2-id-1-yl)ethyl]-1,2,4-oxadiazole;platinum
PubChem CID153453722
Molecular FormulaC19H15N4OPt-3
Molecular Weight510.43 g/mol
Exact Mass510.09
IUPAC Name3-phenyl-5-[2-(3-phenyl-2H-imidazol-2-id-1-yl)ethyl]-1,2,4-oxadiazole;platinum
SMILES[Pt].[c-]1ccccc1-c1noc(CCN2C=CN(c3[c-]cccc3)[CH-]2)n1
InChIInChI=1S/C19H15N4O.Pt/c1-3-7-16(8-4-1)19-20-18(24-21-19)11-12-22-13-14-23(15-22)17-9-5-2-6-10-17;/h1-7,9,13-15H,11-12H2;/q-3;
InChIKeyDKYJVOWXJRXBJW-UHFFFAOYSA-N
XLogP3.29
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-phenyl-2H-imidazol-2-ide;iridium(3+);3-phenyl-1,2-benzoxazole
CID 153493038
1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;iridium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide
CID 140735871
ethane;ethanol;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide;pyridine
CID 162283599
1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenyl-4-[6-[4-[3-[4-(3-phenyl-2H-imidazol-2-id-1-yl)butyl]-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]hexyl]imidazole;tris(iridium);bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[6-[4-[3-[4-(3-phenyl-2H-imidazol-2-id-1-yl)butyl]-2H-imidazol-2-id-1-yl]benzene-5-id-1-yl]hexyl]imidazole)
CID 160704789
carbanide;1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazole;iridium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide
CID 156626237
iridium;1-methyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-[4-(3-phenyl-2H-imidazol-2-id-1-yl)butyl]-2H-imidazol-2-ide
CID 155625575
3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole
CID 154128947
iridium(3+);1-(3-methylpentan-3-yl)-3-phenyl-2H-imidazol-2-ide;pentane-2,4-diol;1-phenylisoquinoline
CID 164783102
3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 874863
CID 58750725
CID 58750725
1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-2-id-1-yl)butyl]-4,5-dimethyl-3-phenyl-2H-imidazol-2-ide;bis(iridium);bis(1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide);1-phenyl-3-[4-(3-phenyl-2H-imidazol-2-id-1-yl)butyl]-2H-imidazol-2-ide
CID 159180957
1-(3,4-dibromobenzene-6-id-1-yl)-3-ethyl-2H-imidazol-2-ide;iridium(3+);5-phenyl-2-phenylpyridine
CID 171745728

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[2-(3-phenyl-2H-imidazol-2-id-1-yl)ethyl]-1,2,4-oxadiazole;platinum?
The IUPAC name of 3-phenyl-5-[2-(3-phenyl-2H-imidazol-2-id-1-yl)ethyl]-1,2,4-oxadiazole;platinum (CID 153453722) is 3-phenyl-5-[2-(3-phenyl-2H-imidazol-2-id-1-yl)ethyl]-1,2,4-oxadiazole;platinum.
What is the SMILES notation for 3-phenyl-5-[2-(3-phenyl-2H-imidazol-2-id-1-yl)ethyl]-1,2,4-oxadiazole;platinum?
The canonical SMILES for 3-phenyl-5-[2-(3-phenyl-2H-imidazol-2-id-1-yl)ethyl]-1,2,4-oxadiazole;platinum is [Pt].[c-]1ccccc1-c1noc(CCN2C=CN(c3[c-]cccc3)[CH-]2)n1.
What is the InChIKey of 3-phenyl-5-[2-(3-phenyl-2H-imidazol-2-id-1-yl)ethyl]-1,2,4-oxadiazole;platinum?
The InChIKey is DKYJVOWXJRXBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N4O.Pt/c1-3-7-16(8-4-1)19-20-18(24-21-19)11-12-22-13-14-23(15-22)17-9-5-2-6-10-17;/h1-7,9,13-15H,11-12H2;/q-3;.
What are the key properties of 3-phenyl-5-[2-(3-phenyl-2H-imidazol-2-id-1-yl)ethyl]-1,2,4-oxadiazole;platinum?
3-phenyl-5-[2-(3-phenyl-2H-imidazol-2-id-1-yl)ethyl]-1,2,4-oxadiazole;platinum has a molecular weight of 510.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[2-(3-phenyl-2H-imidazol-2-id-1-yl)ethyl]-1,2,4-oxadiazole;platinum is sourced from PubChem (CID 153453722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).