1-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone

C16H11IN2O3 — CID 112819046

IUPAC1-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone
SMILESO=C(COc1nnc(-c2ccccc2)o1)c1ccc(I)cc1
InChIInChI=1S/C16H11IN2O3/c17-13-8-6-11(7-9-13)14(20)10-21-16-19-18-15(22-16)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyPJCCGGKACLLUNX-UHFFFAOYSA-N
MW406.18 g/mol
LogP3.60
Rot. Bonds5

About 1-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone

1-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone (PubChem CID 112819046) has the molecular formula C16H11IN2O3 and a molecular weight of 406.18 g/mol. Its IUPAC name is 1-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone
PubChem CID112819046
Molecular FormulaC16H11IN2O3
Molecular Weight406.18 g/mol
Exact Mass405.98
IUPAC Name1-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone
SMILESO=C(COc1nnc(-c2ccccc2)o1)c1ccc(I)cc1
InChIInChI=1S/C16H11IN2O3/c17-13-8-6-11(7-9-13)14(20)10-21-16-19-18-15(22-16)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyPJCCGGKACLLUNX-UHFFFAOYSA-N
XLogP3.60
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.18
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetyl]amino]benzamide
CID 55601761
[2-(4-bromophenyl)-2-oxoethyl] 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 1277161
phenacyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 7302224
N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide
CID 75448103
1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone
CID 43218793
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide
CID 52576893
2-(oxiran-2-ylmethoxy)-5-phenyl-1,3,4-oxadiazole
CID 54351767
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 138052248
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 126767174
N-(2-methyl-3-nitrophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide
CID 55602705
1,3-bis(4-iodophenyl)propane-1,3-dione
CID 15256965
1-[4-(4-nitrophenyl)piperazin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone
CID 55601779

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone?
The IUPAC name of 1-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone (CID 112819046) is 1-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone.
What is the SMILES notation for 1-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone?
The canonical SMILES for 1-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone is O=C(COc1nnc(-c2ccccc2)o1)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone?
The InChIKey is PJCCGGKACLLUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11IN2O3/c17-13-8-6-11(7-9-13)14(20)10-21-16-19-18-15(22-16)12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of 1-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone?
1-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone has a molecular weight of 406.18 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone is sourced from PubChem (CID 112819046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).