1-[5-(3-iodophenyl)-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone

C15H12IN3O2 — CID 22576876

IUPAC1-[5-(3-iodophenyl)-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2cccc(I)c2)OC1c1ccncc1
InChIInChI=1S/C15H12IN3O2/c1-10(20)19-15(11-5-7-17-8-6-11)21-14(18-19)12-3-2-4-13(16)9-12/h2-9,15H,1H3
InChIKeyIHDVFTWIWLPXLZ-UHFFFAOYSA-N
MW393.18 g/mol
LogP2.93
Rot. Bonds2

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

1-[5-(3-iodophenyl)-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 22576876) has the molecular formula C15H12IN3O2 and a molecular weight of 393.18 g/mol. Its IUPAC name is 1-[5-(3-iodophenyl)-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3-iodophenyl)-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID22576876
Molecular FormulaC15H12IN3O2
Molecular Weight393.18 g/mol
Exact Mass393.00
IUPAC Name1-[5-(3-iodophenyl)-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2cccc(I)c2)OC1c1ccncc1
InChIInChI=1S/C15H12IN3O2/c1-10(20)19-15(11-5-7-17-8-6-11)21-14(18-19)12-3-2-4-13(16)9-12/h2-9,15H,1H3
InChIKeyIHDVFTWIWLPXLZ-UHFFFAOYSA-N
XLogP2.93
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.18
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-iodophenyl)-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[5-(3-iodophenyl)-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 22576876) is 1-[5-(3-iodophenyl)-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(3-iodophenyl)-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(3-iodophenyl)-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2cccc(I)c2)OC1c1ccncc1.
What is the InChIKey of 1-[5-(3-iodophenyl)-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is IHDVFTWIWLPXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3O2/c1-10(20)19-15(11-5-7-17-8-6-11)21-14(18-19)12-3-2-4-13(16)9-12/h2-9,15H,1H3.
What are the key properties of 1-[5-(3-iodophenyl)-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[5-(3-iodophenyl)-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 393.18 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-iodophenyl)-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 22576876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).