3-methyliodanuidyl-4-phenyl-1,2,5-oxadiazole

C9H8IN2O- — CID 147393466

IUPAC3-methyliodanuidyl-4-phenyl-1,2,5-oxadiazole
SMILESC[I-]c1nonc1-c1ccccc1
InChIInChI=1S/C9H8IN2O/c1-10-9-8(11-13-12-9)7-5-3-2-4-6-7/h2-6H,1H3/q-1
InChIKeyZRWCDJAHGPPVOO-UHFFFAOYSA-N
MW287.08 g/mol
LogP-1.38
Rot. Bonds2

About 3-methyliodanuidyl-4-phenyl-1,2,5-oxadiazole

3-methyliodanuidyl-4-phenyl-1,2,5-oxadiazole (PubChem CID 147393466) has the molecular formula C9H8IN2O- and a molecular weight of 287.08 g/mol. Its IUPAC name is 3-methyliodanuidyl-4-phenyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyliodanuidyl-4-phenyl-1,2,5-oxadiazole
PubChem CID147393466
Molecular FormulaC9H8IN2O-
Molecular Weight287.08 g/mol
Exact Mass286.97
IUPAC Name3-methyliodanuidyl-4-phenyl-1,2,5-oxadiazole
SMILESC[I-]c1nonc1-c1ccccc1
InChIInChI=1S/C9H8IN2O/c1-10-9-8(11-13-12-9)7-5-3-2-4-6-7/h2-6H,1H3/q-1
InChIKeyZRWCDJAHGPPVOO-UHFFFAOYSA-N
XLogP-1.38
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.08
LogP ≤ 5-1.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyliodanuidyl-4-phenyl-1,2,5-oxadiazole?
The IUPAC name of 3-methyliodanuidyl-4-phenyl-1,2,5-oxadiazole (CID 147393466) is 3-methyliodanuidyl-4-phenyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyliodanuidyl-4-phenyl-1,2,5-oxadiazole?
The canonical SMILES for 3-methyliodanuidyl-4-phenyl-1,2,5-oxadiazole is C[I-]c1nonc1-c1ccccc1.
What is the InChIKey of 3-methyliodanuidyl-4-phenyl-1,2,5-oxadiazole?
The InChIKey is ZRWCDJAHGPPVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN2O/c1-10-9-8(11-13-12-9)7-5-3-2-4-6-7/h2-6H,1H3/q-1.
What are the key properties of 3-methyliodanuidyl-4-phenyl-1,2,5-oxadiazole?
3-methyliodanuidyl-4-phenyl-1,2,5-oxadiazole has a molecular weight of 287.08 g/mol, XLogP of -1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyliodanuidyl-4-phenyl-1,2,5-oxadiazole is sourced from PubChem (CID 147393466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).