2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole;2-pyridin-2-ylpyridine;ruthenium(1+)

C25H17N4O2Ru — CID 21030477

IUPAC2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole;2-pyridin-2-ylpyridine;ruthenium(1+)
SMILESC(=C1\[N-]c2ccccc2O1)\c1nc2ccccc2o1.[Ru+].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C15H9N2O2.C10H8N2.Ru/c1-3-7-12-10(5-1)16-14(18-12)9-15-17-11-6-2-4-8-13(11)19-15;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-9H;1-8H;/q-1;;+1/b14-9+;;
InChIKeyICBAWMCSQOZMGB-CAJRCRMVSA-N
MW506.51 g/mol
LogP6.37
Rot. Bonds2

About 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole;2-pyridin-2-ylpyridine;ruthenium(1+)

2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole;2-pyridin-2-ylpyridine;ruthenium(1+) (PubChem CID 21030477) has the molecular formula C25H17N4O2Ru and a molecular weight of 506.51 g/mol. Its IUPAC name is 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole;2-pyridin-2-ylpyridine;ruthenium(1+).

Molecular Properties

Compound Name2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole;2-pyridin-2-ylpyridine;ruthenium(1+)
PubChem CID21030477
Molecular FormulaC25H17N4O2Ru
Molecular Weight506.51 g/mol
Exact Mass507.04
IUPAC Name2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole;2-pyridin-2-ylpyridine;ruthenium(1+)
SMILESC(=C1\[N-]c2ccccc2O1)\c1nc2ccccc2o1.[Ru+].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C15H9N2O2.C10H8N2.Ru/c1-3-7-12-10(5-1)16-14(18-12)9-15-17-11-6-2-4-8-13(11)19-15;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-9H;1-8H;/q-1;;+1/b14-9+;;
InChIKeyICBAWMCSQOZMGB-CAJRCRMVSA-N
XLogP6.37
TPSA75.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.51
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(Z)-3H-1,3-benzoxazol-2-ylidenemethyl]-1,3-benzoxazole
CID 12074272
dizinc;(3Z)-3-(1,3-benzoxazol-2-ylmethylidene)-1,2-benzothiazol-2-ide 1,1-dioxide;(3E)-3-(1,3-benzoxazol-2-ylmethylidene)-1,2-benzothiazol-2-ide 1,1-dioxide;dichloride
CID 135584796
5-methyl-2-pyridin-2-yl-1,3-benzoxazole
CID 12031006
copper bis(2-[(1E)-1-(1,3-benzoxazol-3-id-2-ylidene)propyl]-1,3-benzoxazole)
CID 58672156
2-[2-[3,5,6-tris[2-(1,3-benzoxazol-2-yl)ethenyl]pyrazin-2-yl]ethenyl]-1,3-benzoxazole
CID 57286159
2-(2-adamantylidenemethyl)-1,3-benzoxazole
CID 139949900
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzoxazol-2-amine
CID 108777909
2-pyridin-2-yl-1,3-benzoxazole-5-carbaldehyde
CID 82158867
(Z)-3-(1,3-benzoxazol-2-yl)-2-hydroxyprop-2-enoic acid
CID 135435078
3-(1,3-benzoxazol-2-ylmethylidene)-1H-indol-2-one
CID 78015919
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole;2-pyridin-2-ylpyridine;ruthenium(1+)?
The IUPAC name of 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole;2-pyridin-2-ylpyridine;ruthenium(1+) (CID 21030477) is 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole;2-pyridin-2-ylpyridine;ruthenium(1+).
What is the SMILES notation for 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole;2-pyridin-2-ylpyridine;ruthenium(1+)?
The canonical SMILES for 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole;2-pyridin-2-ylpyridine;ruthenium(1+) is C(=C1\[N-]c2ccccc2O1)\c1nc2ccccc2o1.[Ru+].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole;2-pyridin-2-ylpyridine;ruthenium(1+)?
The InChIKey is ICBAWMCSQOZMGB-CAJRCRMVSA-N. The full InChI is InChI=1S/C15H9N2O2.C10H8N2.Ru/c1-3-7-12-10(5-1)16-14(18-12)9-15-17-11-6-2-4-8-13(11)19-15;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-9H;1-8H;/q-1;;+1/b14-9+;;.
What are the key properties of 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole;2-pyridin-2-ylpyridine;ruthenium(1+)?
2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole;2-pyridin-2-ylpyridine;ruthenium(1+) has a molecular weight of 506.51 g/mol, XLogP of 6.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1,3-benzoxazol-3-id-2-ylidenemethyl]-1,3-benzoxazole;2-pyridin-2-ylpyridine;ruthenium(1+) is sourced from PubChem (CID 21030477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).