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

C15H11IN2O2 — CID 46227022

IUPAC2-(4-iodophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccc(I)cc3)o2)cc1
InChIInChI=1S/C15H11IN2O2/c1-19-13-8-4-11(5-9-13)15-18-17-14(20-15)10-2-6-12(16)7-3-10/h2-9H,1H3
InChIKeyPDYUNYPXHQJKKO-UHFFFAOYSA-N
MW378.17 g/mol
LogP4.02
Rot. Bonds3

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

2-(4-iodophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 46227022) has the molecular formula C15H11IN2O2 and a molecular weight of 378.17 g/mol. Its IUPAC name is 2-(4-iodophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-iodophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID46227022
Molecular FormulaC15H11IN2O2
Molecular Weight378.17 g/mol
Exact Mass377.99
IUPAC Name2-(4-iodophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccc(I)cc3)o2)cc1
InChIInChI=1S/C15H11IN2O2/c1-19-13-8-4-11(5-9-13)15-18-17-14(20-15)10-2-6-12(16)7-3-10/h2-9H,1H3
InChIKeyPDYUNYPXHQJKKO-UHFFFAOYSA-N
XLogP4.02
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.17
LogP ≤ 54.02
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-(4-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 70052
2-(2-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 74643
2-(4-Methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 622283
2-(4-Methoxyphenyl)-1,3,4-oxadiazole
CID 766687
2-(3-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 74642
2-(2,3-Dihydro-1-benzofuran-5-yl)-5-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazole
CID 44590380
2-(4-Fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 729586
2-(4-Methoxybenzyl)-5-phenyl-1,3,4-oxadiazole
CID 13004922
2-[4-[(4-Fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole
CID 2740991
2-(4-Methoxyphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole
CID 96848
Phenol, 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-
CID 706782
5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 679504

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-iodophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 46227022) is 2-(4-iodophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-iodophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-iodophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3ccc(I)cc3)o2)cc1.
What is the InChIKey of 2-(4-iodophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is PDYUNYPXHQJKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2O2/c1-19-13-8-4-11(5-9-13)15-18-17-14(20-15)10-2-6-12(16)7-3-10/h2-9H,1H3.
What are the key properties of 2-(4-iodophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-(4-iodophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 378.17 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 46227022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).