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

C6H2ClIN2O2 — CID 106690827

IUPAC2-(2-chlorofuran-3-yl)-5-iodo-1,3,4-oxadiazole
SMILESClc1occc1-c1nnc(I)o1
InChIInChI=1S/C6H2ClIN2O2/c7-4-3(1-2-11-4)5-9-10-6(8)12-5/h1-2H
InChIKeyIYSNMWDJSIDTIX-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.59
Rot. Bonds1

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

2-(2-chlorofuran-3-yl)-5-iodo-1,3,4-oxadiazole (PubChem CID 106690827) has the molecular formula C6H2ClIN2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-(2-chlorofuran-3-yl)-5-iodo-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorofuran-3-yl)-5-iodo-1,3,4-oxadiazole
PubChem CID106690827
Molecular FormulaC6H2ClIN2O2
Molecular Weight296.45 g/mol
Exact Mass295.88
IUPAC Name2-(2-chlorofuran-3-yl)-5-iodo-1,3,4-oxadiazole
SMILESClc1occc1-c1nnc(I)o1
InChIInChI=1S/C6H2ClIN2O2/c7-4-3(1-2-11-4)5-9-10-6(8)12-5/h1-2H
InChIKeyIYSNMWDJSIDTIX-UHFFFAOYSA-N
XLogP2.59
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.59
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

2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 106689618
2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
CID 114771038
N-[2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 106689625
2-bromo-5-(2-bromofuran-3-yl)-1,3,4-oxadiazole
CID 106856548
2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771469
2-(2-bromothiophen-3-yl)-5-iodo-1,3,4-oxadiazole
CID 164653970
2-(5-chloro-2-pyridinyl)-5-iodo-1,3,4-oxadiazole
CID 114771551
2-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole
CID 107944229
5-(2-chlorofuran-3-yl)-4-iodo-1,2-oxazol-3-amine
CID 106690691
2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole
CID 114771851
2-(2-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771767
5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine
CID 16768183

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorofuran-3-yl)-5-iodo-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorofuran-3-yl)-5-iodo-1,3,4-oxadiazole (CID 106690827) is 2-(2-chlorofuran-3-yl)-5-iodo-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorofuran-3-yl)-5-iodo-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorofuran-3-yl)-5-iodo-1,3,4-oxadiazole is Clc1occc1-c1nnc(I)o1.
What is the InChIKey of 2-(2-chlorofuran-3-yl)-5-iodo-1,3,4-oxadiazole?
The InChIKey is IYSNMWDJSIDTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClIN2O2/c7-4-3(1-2-11-4)5-9-10-6(8)12-5/h1-2H.
What are the key properties of 2-(2-chlorofuran-3-yl)-5-iodo-1,3,4-oxadiazole?
2-(2-chlorofuran-3-yl)-5-iodo-1,3,4-oxadiazole has a molecular weight of 296.45 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorofuran-3-yl)-5-iodo-1,3,4-oxadiazole is sourced from PubChem (CID 106690827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).