[2-(1,3-benzoxazol-2-yl)phenyl]iminoazanide;zinc

C13H8N3OZn- — CID 155109070

IUPAC[2-(1,3-benzoxazol-2-yl)phenyl]iminoazanide;zinc
SMILES[N-]=Nc1ccccc1-c1nc2ccccc2o1.[Zn]
InChIInChI=1S/C13H8N3O.Zn/c14-16-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)17-13;/h1-8H;/q-1;
InChIKeyAFXKDAIOFMBOGK-UHFFFAOYSA-N
MW287.62 g/mol
LogP4.15
Rot. Bonds2

About [2-(1,3-benzoxazol-2-yl)phenyl]iminoazanide;zinc

[2-(1,3-benzoxazol-2-yl)phenyl]iminoazanide;zinc (PubChem CID 155109070) has the molecular formula C13H8N3OZn- and a molecular weight of 287.62 g/mol. Its IUPAC name is [2-(1,3-benzoxazol-2-yl)phenyl]iminoazanide;zinc.

Molecular Properties

Compound Name[2-(1,3-benzoxazol-2-yl)phenyl]iminoazanide;zinc
PubChem CID155109070
Molecular FormulaC13H8N3OZn-
Molecular Weight287.62 g/mol
Exact Mass286.00
IUPAC Name[2-(1,3-benzoxazol-2-yl)phenyl]iminoazanide;zinc
SMILES[N-]=Nc1ccccc1-c1nc2ccccc2o1.[Zn]
InChIInChI=1S/C13H8N3O.Zn/c14-16-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)17-13;/h1-8H;/q-1;
InChIKeyAFXKDAIOFMBOGK-UHFFFAOYSA-N
XLogP4.15
TPSA60.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.62
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
2-(2-chlorophenyl)-1,3-benzoxazole
CID 3014177
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
CID 19044929
bis(3-(1,3-benzoxazol-2-yl)naphthalen-2-ol);zinc
CID 153426801
2-(2,3,4-trifluorophenyl)-1,3-benzoxazole
CID 22625179
2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole
CID 58230863
2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole
CID 102587552
2-(1,3-benzoxazol-2-yl)-N-[[2-(1,3-benzoxazol-2-yl)anilino]-chlorophosphoryl]aniline
CID 25112701
2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
CID 651855
2-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]-1,3-benzoxazole
CID 70587821
3-(1,3-benzoxazol-2-yl)-1H-pyridine-2-thione
CID 137177094

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzoxazol-2-yl)phenyl]iminoazanide;zinc?
The IUPAC name of [2-(1,3-benzoxazol-2-yl)phenyl]iminoazanide;zinc (CID 155109070) is [2-(1,3-benzoxazol-2-yl)phenyl]iminoazanide;zinc.
What is the SMILES notation for [2-(1,3-benzoxazol-2-yl)phenyl]iminoazanide;zinc?
The canonical SMILES for [2-(1,3-benzoxazol-2-yl)phenyl]iminoazanide;zinc is [N-]=Nc1ccccc1-c1nc2ccccc2o1.[Zn].
What is the InChIKey of [2-(1,3-benzoxazol-2-yl)phenyl]iminoazanide;zinc?
The InChIKey is AFXKDAIOFMBOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N3O.Zn/c14-16-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)17-13;/h1-8H;/q-1;.
What are the key properties of [2-(1,3-benzoxazol-2-yl)phenyl]iminoazanide;zinc?
[2-(1,3-benzoxazol-2-yl)phenyl]iminoazanide;zinc has a molecular weight of 287.62 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzoxazol-2-yl)phenyl]iminoazanide;zinc is sourced from PubChem (CID 155109070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).