3-iodo-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole

C7H5IN2O2 — CID 114822769

IUPAC3-iodo-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(I)no2)co1
InChIInChI=1S/C7H5IN2O2/c1-4-2-5(3-11-4)6-9-7(8)10-12-6/h2-3H,1H3
InChIKeyZIVKRYDHGSULNL-UHFFFAOYSA-N
MW276.03 g/mol
LogP2.24
Rot. Bonds1

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

3-iodo-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole (PubChem CID 114822769) has the molecular formula C7H5IN2O2 and a molecular weight of 276.03 g/mol. Its IUPAC name is 3-iodo-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-iodo-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole
PubChem CID114822769
Molecular FormulaC7H5IN2O2
Molecular Weight276.03 g/mol
Exact Mass275.94
IUPAC Name3-iodo-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(I)no2)co1
InChIInChI=1S/C7H5IN2O2/c1-4-2-5(3-11-4)6-9-7(8)10-12-6/h2-3H,1H3
InChIKeyZIVKRYDHGSULNL-UHFFFAOYSA-N
XLogP2.24
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.03
LogP ≤ 52.24
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-(3-chloro-5-methylphenyl)-3-iodo-1,2,4-oxadiazole
CID 112572269
3-(1-chloropropyl)-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole
CID 103095423
5-(3,5-dimethoxyphenyl)-3-iodo-1,2,4-oxadiazole
CID 112572230
4-ethyl-1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 114822750
5-(4-butoxyphenyl)-3-iodo-1,2,4-oxadiazole
CID 112572237
1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 114822777
2-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 114822781
5-(1,3-benzodioxol-5-yl)-3-iodo-1,2,4-oxadiazole
CID 112572224
5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 114823937
3-iodo-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole
CID 112572451
5-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
CID 136710786
5-(5-bromo-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole
CID 130685221

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-iodo-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole (CID 114822769) is 3-iodo-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-iodo-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-iodo-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole is Cc1cc(-c2nc(I)no2)co1.
What is the InChIKey of 3-iodo-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole?
The InChIKey is ZIVKRYDHGSULNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2O2/c1-4-2-5(3-11-4)6-9-7(8)10-12-6/h2-3H,1H3.
What are the key properties of 3-iodo-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole?
3-iodo-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole has a molecular weight of 276.03 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 114822769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).