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

C10H15IN2O — CID 114458862

IUPAC5-(cycloheptylmethyl)-3-iodo-1,2,4-oxadiazole
SMILESIc1noc(CC2CCCCCC2)n1
InChIInChI=1S/C10H15IN2O/c11-10-12-9(14-13-10)7-8-5-3-1-2-4-6-8/h8H,1-7H2
InChIKeyLOFFBJFFBKWPRH-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.19
Rot. Bonds2

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

5-(cycloheptylmethyl)-3-iodo-1,2,4-oxadiazole (PubChem CID 114458862) has the molecular formula C10H15IN2O and a molecular weight of 306.15 g/mol. Its IUPAC name is 5-(cycloheptylmethyl)-3-iodo-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(cycloheptylmethyl)-3-iodo-1,2,4-oxadiazole
PubChem CID114458862
Molecular FormulaC10H15IN2O
Molecular Weight306.15 g/mol
Exact Mass306.02
IUPAC Name5-(cycloheptylmethyl)-3-iodo-1,2,4-oxadiazole
SMILESIc1noc(CC2CCCCCC2)n1
InChIInChI=1S/C10H15IN2O/c11-10-12-9(14-13-10)7-8-5-3-1-2-4-6-8/h8H,1-7H2
InChIKeyLOFFBJFFBKWPRH-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'}

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Related Compounds

5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole
CID 127318368
5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine
CID 114458859
[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326432
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride
CID 71757439
5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382576
5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 667308
2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633268
5-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-1,2,4-oxadiazole
CID 112572311
2-(cycloheptylmethyl)-5-iodo-1,3,4-oxadiazole
CID 114771885
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61351527
5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888719
5-(cycloheptylmethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 115679991

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylmethyl)-3-iodo-1,2,4-oxadiazole?
The IUPAC name of 5-(cycloheptylmethyl)-3-iodo-1,2,4-oxadiazole (CID 114458862) is 5-(cycloheptylmethyl)-3-iodo-1,2,4-oxadiazole.
What is the SMILES notation for 5-(cycloheptylmethyl)-3-iodo-1,2,4-oxadiazole?
The canonical SMILES for 5-(cycloheptylmethyl)-3-iodo-1,2,4-oxadiazole is Ic1noc(CC2CCCCCC2)n1.
What is the InChIKey of 5-(cycloheptylmethyl)-3-iodo-1,2,4-oxadiazole?
The InChIKey is LOFFBJFFBKWPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O/c11-10-12-9(14-13-10)7-8-5-3-1-2-4-6-8/h8H,1-7H2.
What are the key properties of 5-(cycloheptylmethyl)-3-iodo-1,2,4-oxadiazole?
5-(cycloheptylmethyl)-3-iodo-1,2,4-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 5-(cycloheptylmethyl)-3-iodo-1,2,4-oxadiazole is sourced from PubChem (CID 114458862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).