2-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole

C9H13IN2O2 — CID 114771865

IUPAC2-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole
SMILESIc1nnc(CCC2CCCCO2)o1
InChIInChI=1S/C9H13IN2O2/c10-9-12-11-8(14-9)5-4-7-3-1-2-6-13-7/h7H,1-6H2
InChIKeyUEEYJUFZZSYUTD-UHFFFAOYSA-N
MW308.12 g/mol
LogP2.18
Rot. Bonds3

About 2-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole

2-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole (PubChem CID 114771865) has the molecular formula C9H13IN2O2 and a molecular weight of 308.12 g/mol. Its IUPAC name is 2-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole
PubChem CID114771865
Molecular FormulaC9H13IN2O2
Molecular Weight308.12 g/mol
Exact Mass308.00
IUPAC Name2-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole
SMILESIc1nnc(CCC2CCCCO2)o1
InChIInChI=1S/C9H13IN2O2/c10-9-12-11-8(14-9)5-4-7-3-1-2-6-13-7/h7H,1-6H2
InChIKeyUEEYJUFZZSYUTD-UHFFFAOYSA-N
XLogP2.18
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole 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-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole (CID 114771865) is 2-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole is Ic1nnc(CCC2CCCCO2)o1.
What is the InChIKey of 2-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole?
The InChIKey is UEEYJUFZZSYUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O2/c10-9-12-11-8(14-9)5-4-7-3-1-2-6-13-7/h7H,1-6H2.
What are the key properties of 2-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole?
2-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole has a molecular weight of 308.12 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 114771865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).