[4-(5-amino-1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite

C9H5F3IN3O2 — CID 145378514

IUPAC[4-(5-amino-1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite
SMILESNc1nc(-c2ccc(OI)c(C(F)(F)F)c2)no1
InChIInChI=1S/C9H5F3IN3O2/c10-9(11,12)5-3-4(1-2-6(5)17-13)7-15-8(14)18-16-7/h1-3H,(H2,14,15,16)
InChIKeyBPMKSSFOMWPOSH-UHFFFAOYSA-N
MW371.06 g/mol
LogP3.07
Rot. Bonds2

About [4-(5-amino-1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite

[4-(5-amino-1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite (PubChem CID 145378514) has the molecular formula C9H5F3IN3O2 and a molecular weight of 371.06 g/mol. Its IUPAC name is [4-(5-amino-1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite.

Molecular Properties

Compound Name[4-(5-amino-1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite
PubChem CID145378514
Molecular FormulaC9H5F3IN3O2
Molecular Weight371.06 g/mol
Exact Mass370.94
IUPAC Name[4-(5-amino-1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite
SMILESNc1nc(-c2ccc(OI)c(C(F)(F)F)c2)no1
InChIInChI=1S/C9H5F3IN3O2/c10-9(11,12)5-3-4(1-2-6(5)17-13)7-15-8(14)18-16-7/h1-3H,(H2,14,15,16)
InChIKeyBPMKSSFOMWPOSH-UHFFFAOYSA-N
XLogP3.07
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.06
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite?
The IUPAC name of [4-(5-amino-1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite (CID 145378514) is [4-(5-amino-1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite.
What is the SMILES notation for [4-(5-amino-1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite?
The canonical SMILES for [4-(5-amino-1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite is Nc1nc(-c2ccc(OI)c(C(F)(F)F)c2)no1.
What is the InChIKey of [4-(5-amino-1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite?
The InChIKey is BPMKSSFOMWPOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3IN3O2/c10-9(11,12)5-3-4(1-2-6(5)17-13)7-15-8(14)18-16-7/h1-3H,(H2,14,15,16).
What are the key properties of [4-(5-amino-1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite?
[4-(5-amino-1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite has a molecular weight of 371.06 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite is sourced from PubChem (CID 145378514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).