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

C8H11IN2O2 — CID 112572494

IUPAC3-iodo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazole
SMILESIc1noc(CCC2CCCO2)n1
InChIInChI=1S/C8H11IN2O2/c9-8-10-7(13-11-8)4-3-6-2-1-5-12-6/h6H,1-5H2
InChIKeyCKMMXZXLPDLQFR-UHFFFAOYSA-N
MW294.09 g/mol
LogP1.79
Rot. Bonds3

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

3-iodo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 112572494) has the molecular formula C8H11IN2O2 and a molecular weight of 294.09 g/mol. Its IUPAC name is 3-iodo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-iodo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazole
PubChem CID112572494
Molecular FormulaC8H11IN2O2
Molecular Weight294.09 g/mol
Exact Mass293.99
IUPAC Name3-iodo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazole
SMILESIc1noc(CCC2CCCO2)n1
InChIInChI=1S/C8H11IN2O2/c9-8-10-7(13-11-8)4-3-6-2-1-5-12-6/h6H,1-5H2
InChIKeyCKMMXZXLPDLQFR-UHFFFAOYSA-N
XLogP1.79
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.09
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol
CID 102660318
1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852435
N-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 65159673
1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096278
[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 65159736
2-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole
CID 114771865
2-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637302
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 104871455
5-(cycloheptylmethyl)-3-iodo-1,2,4-oxadiazole
CID 114458862
N-[[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 65159274
5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 43513448
5-[2-(oxolan-2-yl)ethyl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 65155553

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-iodo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazole (CID 112572494) is 3-iodo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-iodo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-iodo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazole is Ic1noc(CCC2CCCO2)n1.
What is the InChIKey of 3-iodo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is CKMMXZXLPDLQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2O2/c9-8-10-7(13-11-8)4-3-6-2-1-5-12-6/h6H,1-5H2.
What are the key properties of 3-iodo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazole?
3-iodo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 294.09 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 112572494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).