N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C15H12IN3O2S — CID 17486628

IUPACN-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(I)cc1
InChIInChI=1S/C15H12IN3O2S/c16-11-1-3-12(4-2-11)17-13(20)5-6-14-18-15(19-21-14)10-7-8-22-9-10/h1-4,7-9H,5-6H2,(H,17,20)
InChIKeyLAFMSHCNCYPCKE-UHFFFAOYSA-N
MW425.25 g/mol
LogP3.97
Rot. Bonds5

About N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 17486628) has the molecular formula C15H12IN3O2S and a molecular weight of 425.25 g/mol. Its IUPAC name is N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID17486628
Molecular FormulaC15H12IN3O2S
Molecular Weight425.25 g/mol
Exact Mass424.97
IUPAC NameN-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(I)cc1
InChIInChI=1S/C15H12IN3O2S/c16-11-1-3-12(4-2-11)17-13(20)5-6-14-18-15(19-21-14)10-7-8-22-9-10/h1-4,7-9H,5-6H2,(H,17,20)
InChIKeyLAFMSHCNCYPCKE-UHFFFAOYSA-N
XLogP3.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.25
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26689827
N-(4-iodo-2-methylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134049053
N-(4-pyrrolidin-1-ylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17485381
N-(4-methoxyphenyl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 26688697
N-(4-morpholin-4-ylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26585016
2-methyl-3-[4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]propanoic acid
CID 120540956
N-pyridin-3-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 27165067
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 100763881
N-(2,3-dihydro-1H-inden-5-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9087195
N-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 55892217
N-[3,5-bis(trifluoromethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26689322
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide
CID 100764143

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 17486628) is N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is LAFMSHCNCYPCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3O2S/c16-11-1-3-12(4-2-11)17-13(20)5-6-14-18-15(19-21-14)10-7-8-22-9-10/h1-4,7-9H,5-6H2,(H,17,20).
What are the key properties of N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 425.25 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 17486628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).