2-(cycloheptylmethyl)-5-iodo-1,3,4-oxadiazole

C10H15IN2O — CID 114771885

IUPAC2-(cycloheptylmethyl)-5-iodo-1,3,4-oxadiazole
SMILESIc1nnc(CC2CCCCCC2)o1
InChIInChI=1S/C10H15IN2O/c11-10-13-12-9(14-10)7-8-5-3-1-2-4-6-8/h8H,1-7H2
InChIKeyXCHPFNYFGCSRBO-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.19
Rot. Bonds2

About 2-(cycloheptylmethyl)-5-iodo-1,3,4-oxadiazole

2-(cycloheptylmethyl)-5-iodo-1,3,4-oxadiazole (PubChem CID 114771885) has the molecular formula C10H15IN2O and a molecular weight of 306.15 g/mol. Its IUPAC name is 2-(cycloheptylmethyl)-5-iodo-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(cycloheptylmethyl)-5-iodo-1,3,4-oxadiazole
PubChem CID114771885
Molecular FormulaC10H15IN2O
Molecular Weight306.15 g/mol
Exact Mass306.02
IUPAC Name2-(cycloheptylmethyl)-5-iodo-1,3,4-oxadiazole
SMILESIc1nnc(CC2CCCCCC2)o1
InChIInChI=1S/C10H15IN2O/c11-10-13-12-9(14-10)7-8-5-3-1-2-4-6-8/h8H,1-7H2
InChIKeyXCHPFNYFGCSRBO-UHFFFAOYSA-N
XLogP3.19
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(cycloheptylmethyl)-5-iodo-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-(cycloheptylmethyl)-5-iodo-1,3,4-oxadiazole?
The IUPAC name of 2-(cycloheptylmethyl)-5-iodo-1,3,4-oxadiazole (CID 114771885) is 2-(cycloheptylmethyl)-5-iodo-1,3,4-oxadiazole.
What is the SMILES notation for 2-(cycloheptylmethyl)-5-iodo-1,3,4-oxadiazole?
The canonical SMILES for 2-(cycloheptylmethyl)-5-iodo-1,3,4-oxadiazole is Ic1nnc(CC2CCCCCC2)o1.
What is the InChIKey of 2-(cycloheptylmethyl)-5-iodo-1,3,4-oxadiazole?
The InChIKey is XCHPFNYFGCSRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O/c11-10-13-12-9(14-10)7-8-5-3-1-2-4-6-8/h8H,1-7H2.
What are the key properties of 2-(cycloheptylmethyl)-5-iodo-1,3,4-oxadiazole?
2-(cycloheptylmethyl)-5-iodo-1,3,4-oxadiazole has a molecular weight of 306.15 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylmethyl)-5-iodo-1,3,4-oxadiazole is sourced from PubChem (CID 114771885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).