2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole

C15H10I2N2O2 — CID 67510995

IUPAC2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cccc(-c2nnc(-c3cc(I)cc(I)c3)o2)c1
InChIInChI=1S/C15H10I2N2O2/c1-20-13-4-2-3-9(7-13)14-18-19-15(21-14)10-5-11(16)8-12(17)6-10/h2-8H,1H3
InChIKeyGNYWGTCNEHRZEI-UHFFFAOYSA-N
MW504.07 g/mol
LogP4.62
Rot. Bonds3

About 2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole

2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 67510995) has the molecular formula C15H10I2N2O2 and a molecular weight of 504.07 g/mol. Its IUPAC name is 2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID67510995
Molecular FormulaC15H10I2N2O2
Molecular Weight504.07 g/mol
Exact Mass503.88
IUPAC Name2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cccc(-c2nnc(-c3cc(I)cc(I)c3)o2)c1
InChIInChI=1S/C15H10I2N2O2/c1-20-13-4-2-3-9(7-13)14-18-19-15(21-14)10-5-11(16)8-12(17)6-10/h2-8H,1H3
InChIKeyGNYWGTCNEHRZEI-UHFFFAOYSA-N
XLogP4.62
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.07
LogP ≤ 54.62
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

3,5-diiodo-N'-(3-methoxybenzoyl)benzohydrazide;2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole;phosphoryl trichloride
CID 159106357
2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 11348131
2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054364
2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 687081
methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619027
N-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 110456066
1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62139034
2-(3-iodophenyl)-5-phenyl-1,3,4-oxadiazole
CID 749918
2-(2,4-dimethylpyrimidin-5-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 99962847
2-(3-chloropropyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 39356122
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide
CID 3338695
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole (CID 67510995) is 2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole is COc1cccc(-c2nnc(-c3cc(I)cc(I)c3)o2)c1.
What is the InChIKey of 2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is GNYWGTCNEHRZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10I2N2O2/c1-20-13-4-2-3-9(7-13)14-18-19-15(21-14)10-5-11(16)8-12(17)6-10/h2-8H,1H3.
What are the key properties of 2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 504.07 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 67510995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).