2-(3,4-dimethyl-1,3-oxazol-2-ylidene)-N-phenylethanimine;hydroiodide

C13H15IN2O — CID 154734606

IUPAC2-(3,4-dimethyl-1,3-oxazol-2-ylidene)-N-phenylethanimine;hydroiodide
SMILESCC1=COC(=C/C=N/c2ccccc2)N1C.I
InChIInChI=1S/C13H14N2O.HI/c1-11-10-16-13(15(11)2)8-9-14-12-6-4-3-5-7-12;/h3-10H,1-2H3;1H/b13-8?,14-9+;
InChIKeyMAQWKZSXWNXMPC-WWZJAWPRSA-N
MW342.18 g/mol
LogP3.67
Rot. Bonds2

About 2-(3,4-dimethyl-1,3-oxazol-2-ylidene)-N-phenylethanimine;hydroiodide

2-(3,4-dimethyl-1,3-oxazol-2-ylidene)-N-phenylethanimine;hydroiodide (PubChem CID 154734606) has the molecular formula C13H15IN2O and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-(3,4-dimethyl-1,3-oxazol-2-ylidene)-N-phenylethanimine;hydroiodide.

Molecular Properties

Compound Name2-(3,4-dimethyl-1,3-oxazol-2-ylidene)-N-phenylethanimine;hydroiodide
PubChem CID154734606
Molecular FormulaC13H15IN2O
Molecular Weight342.18 g/mol
Exact Mass342.02
IUPAC Name2-(3,4-dimethyl-1,3-oxazol-2-ylidene)-N-phenylethanimine;hydroiodide
SMILESCC1=COC(=C/C=N/c2ccccc2)N1C.I
InChIInChI=1S/C13H14N2O.HI/c1-11-10-16-13(15(11)2)8-9-14-12-6-4-3-5-7-12;/h3-10H,1-2H3;1H/b13-8?,14-9+;
InChIKeyMAQWKZSXWNXMPC-WWZJAWPRSA-N
XLogP3.67
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-1,3-oxazol-2-ylidene)-N-phenylethanimine;hydroiodide?
The IUPAC name of 2-(3,4-dimethyl-1,3-oxazol-2-ylidene)-N-phenylethanimine;hydroiodide (CID 154734606) is 2-(3,4-dimethyl-1,3-oxazol-2-ylidene)-N-phenylethanimine;hydroiodide.
What is the SMILES notation for 2-(3,4-dimethyl-1,3-oxazol-2-ylidene)-N-phenylethanimine;hydroiodide?
The canonical SMILES for 2-(3,4-dimethyl-1,3-oxazol-2-ylidene)-N-phenylethanimine;hydroiodide is CC1=COC(=C/C=N/c2ccccc2)N1C.I.
What is the InChIKey of 2-(3,4-dimethyl-1,3-oxazol-2-ylidene)-N-phenylethanimine;hydroiodide?
The InChIKey is MAQWKZSXWNXMPC-WWZJAWPRSA-N. The full InChI is InChI=1S/C13H14N2O.HI/c1-11-10-16-13(15(11)2)8-9-14-12-6-4-3-5-7-12;/h3-10H,1-2H3;1H/b13-8?,14-9+;.
What are the key properties of 2-(3,4-dimethyl-1,3-oxazol-2-ylidene)-N-phenylethanimine;hydroiodide?
2-(3,4-dimethyl-1,3-oxazol-2-ylidene)-N-phenylethanimine;hydroiodide has a molecular weight of 342.18 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-1,3-oxazol-2-ylidene)-N-phenylethanimine;hydroiodide is sourced from PubChem (CID 154734606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).