(2-phenyl-4H-1,3-oxazol-5-ylidene)methyliodanium

C10H9INO+ — CID 135044788

IUPAC(2-phenyl-4H-1,3-oxazol-5-ylidene)methyliodanium
SMILES[IH+]C=C1CN=C(c2ccccc2)O1
InChIInChI=1S/C10H9INO/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-6,11H,7H2/q+1
InChIKeyYRCOFUUBBLTGOX-UHFFFAOYSA-N
MW286.09 g/mol
LogP-1.41
Rot. Bonds1

About (2-phenyl-4H-1,3-oxazol-5-ylidene)methyliodanium

(2-phenyl-4H-1,3-oxazol-5-ylidene)methyliodanium (PubChem CID 135044788) has the molecular formula C10H9INO+ and a molecular weight of 286.09 g/mol. Its IUPAC name is (2-phenyl-4H-1,3-oxazol-5-ylidene)methyliodanium.

Molecular Properties

Compound Name(2-phenyl-4H-1,3-oxazol-5-ylidene)methyliodanium
PubChem CID135044788
Molecular FormulaC10H9INO+
Molecular Weight286.09 g/mol
Exact Mass285.97
IUPAC Name(2-phenyl-4H-1,3-oxazol-5-ylidene)methyliodanium
SMILES[IH+]C=C1CN=C(c2ccccc2)O1
InChIInChI=1S/C10H9INO/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-6,11H,7H2/q+1
InChIKeyYRCOFUUBBLTGOX-UHFFFAOYSA-N
XLogP-1.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.09
LogP ≤ 5-1.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-phenyl-4H-1,3-oxazol-5-ylidene)methyliodanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-4H-1,3-oxazol-5-ylidene)methyliodanium?
The IUPAC name of (2-phenyl-4H-1,3-oxazol-5-ylidene)methyliodanium (CID 135044788) is (2-phenyl-4H-1,3-oxazol-5-ylidene)methyliodanium.
What is the SMILES notation for (2-phenyl-4H-1,3-oxazol-5-ylidene)methyliodanium?
The canonical SMILES for (2-phenyl-4H-1,3-oxazol-5-ylidene)methyliodanium is [IH+]C=C1CN=C(c2ccccc2)O1.
What is the InChIKey of (2-phenyl-4H-1,3-oxazol-5-ylidene)methyliodanium?
The InChIKey is YRCOFUUBBLTGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9INO/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-6,11H,7H2/q+1.
What are the key properties of (2-phenyl-4H-1,3-oxazol-5-ylidene)methyliodanium?
(2-phenyl-4H-1,3-oxazol-5-ylidene)methyliodanium has a molecular weight of 286.09 g/mol, XLogP of -1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-4H-1,3-oxazol-5-ylidene)methyliodanium is sourced from PubChem (CID 135044788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).