5-cyclopentyl-3-iodo-1,2,4-oxadiazole

C7H9IN2O — CID 112572473

IUPAC5-cyclopentyl-3-iodo-1,2,4-oxadiazole
SMILESIc1noc(C2CCCC2)n1
InChIInChI=1S/C7H9IN2O/c8-7-9-6(11-10-7)5-3-1-2-4-5/h5H,1-4H2
InChIKeyXYWVOUPRQPAGJB-UHFFFAOYSA-N
MW264.07 g/mol
LogP2.33
Rot. Bonds1

About 5-cyclopentyl-3-iodo-1,2,4-oxadiazole

5-cyclopentyl-3-iodo-1,2,4-oxadiazole (PubChem CID 112572473) has the molecular formula C7H9IN2O and a molecular weight of 264.07 g/mol. Its IUPAC name is 5-cyclopentyl-3-iodo-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopentyl-3-iodo-1,2,4-oxadiazole
PubChem CID112572473
Molecular FormulaC7H9IN2O
Molecular Weight264.07 g/mol
Exact Mass263.98
IUPAC Name5-cyclopentyl-3-iodo-1,2,4-oxadiazole
SMILESIc1noc(C2CCCC2)n1
InChIInChI=1S/C7H9IN2O/c8-7-9-6(11-10-7)5-3-1-2-4-5/h5H,1-4H2
InChIKeyXYWVOUPRQPAGJB-UHFFFAOYSA-N
XLogP2.33
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 52.33
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-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-iodo-1,2,4-oxadiazole
CID 112572509
3-iodo-5-(thiolan-3-yl)-1,2,4-oxadiazole
CID 112572491
5-cyclopentyl-1,2,4-oxadiazol-3-amine
CID 53418487
CID 162193867
CID 162193867
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652
1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine
CID 61323612
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
CID 61354523
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752
(5-cyclohexyl-1,2,4-oxadiazol-3-yl) hydrogen carbonate
CID 67840903
(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-cyclopropylmethanamine
CID 62589285
5-(cycloheptylmethyl)-3-iodo-1,2,4-oxadiazole
CID 114458862

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-iodo-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopentyl-3-iodo-1,2,4-oxadiazole (CID 112572473) is 5-cyclopentyl-3-iodo-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopentyl-3-iodo-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopentyl-3-iodo-1,2,4-oxadiazole is Ic1noc(C2CCCC2)n1.
What is the InChIKey of 5-cyclopentyl-3-iodo-1,2,4-oxadiazole?
The InChIKey is XYWVOUPRQPAGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O/c8-7-9-6(11-10-7)5-3-1-2-4-5/h5H,1-4H2.
What are the key properties of 5-cyclopentyl-3-iodo-1,2,4-oxadiazole?
5-cyclopentyl-3-iodo-1,2,4-oxadiazole has a molecular weight of 264.07 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-iodo-1,2,4-oxadiazole is sourced from PubChem (CID 112572473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).