3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide

C17H14IN3O2 — CID 100763881

IUPAC3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
SMILESO=C(CCc1nc(-c2ccc(I)cc2)no1)Nc1ccccc1
InChIInChI=1S/C17H14IN3O2/c18-13-8-6-12(7-9-13)17-20-16(23-21-17)11-10-15(22)19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,22)
InChIKeyYMPPDUPOIRNOIB-UHFFFAOYSA-N
MW419.22 g/mol
LogP3.91
Rot. Bonds5

About 3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide

3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide (PubChem CID 100763881) has the molecular formula C17H14IN3O2 and a molecular weight of 419.22 g/mol. Its IUPAC name is 3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
PubChem CID100763881
Molecular FormulaC17H14IN3O2
Molecular Weight419.22 g/mol
Exact Mass419.01
IUPAC Name3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
SMILESO=C(CCc1nc(-c2ccc(I)cc2)no1)Nc1ccccc1
InChIInChI=1S/C17H14IN3O2/c18-13-8-6-12(7-9-13)17-20-16(23-21-17)11-10-15(22)19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,22)
InChIKeyYMPPDUPOIRNOIB-UHFFFAOYSA-N
XLogP3.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.22
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide
CID 100764143
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262
N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762327
N-(4-chlorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762340
N-(4-iodophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758297
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodophenyl)butanamide
CID 39892599
N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17486628
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101498
N-(4-tert-butylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9192064
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100763831

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The IUPAC name of 3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide (CID 100763881) is 3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide is O=C(CCc1nc(-c2ccc(I)cc2)no1)Nc1ccccc1.
What is the InChIKey of 3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The InChIKey is YMPPDUPOIRNOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14IN3O2/c18-13-8-6-12(7-9-13)17-20-16(23-21-17)11-10-15(22)19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,22).
What are the key properties of 3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide has a molecular weight of 419.22 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide is sourced from PubChem (CID 100763881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).