2-(4-iodophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide

C20H20IN3O3 — CID 30155241

IUPAC2-(4-iodophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(I)cc1
InChIInChI=1S/C20H20IN3O3/c1-14(2)24(19(25)13-26-17-10-8-16(21)9-11-17)12-18-22-20(23-27-18)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3
InChIKeyPUELANQTCPAZDT-UHFFFAOYSA-N
MW477.30 g/mol
LogP4.16
Rot. Bonds7

About 2-(4-iodophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide

2-(4-iodophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide (PubChem CID 30155241) has the molecular formula C20H20IN3O3 and a molecular weight of 477.30 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-iodophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
PubChem CID30155241
Molecular FormulaC20H20IN3O3
Molecular Weight477.30 g/mol
Exact Mass477.05
IUPAC Name2-(4-iodophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(I)cc1
InChIInChI=1S/C20H20IN3O3/c1-14(2)24(19(25)13-26-17-10-8-16(21)9-11-17)12-18-22-20(23-27-18)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3
InChIKeyPUELANQTCPAZDT-UHFFFAOYSA-N
XLogP4.16
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.30
LogP ≤ 54.16
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-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-phenylphenoxy)-N-propan-2-ylacetamide
CID 71663676
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenoxy)-N-propan-2-ylacetamide
CID 2986501
2-methylbutan-2-yl 4-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylamino]ethoxy]benzoate
CID 123211476
2-(2-methoxyphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2984807
2-(4-tert-butylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide
CID 8874813
2-(4-bromophenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide
CID 1257687
4-butoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
CID 2977160
2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2997415
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenyl-N-propan-2-ylbenzamide
CID 17358753
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-phenylphenyl)-N-propan-2-ylacetamide
CID 17020197
2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide
CID 3899843
N-methyl-2-naphthalen-2-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8874641

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-iodophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide (CID 30155241) is 2-(4-iodophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-iodophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-iodophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide is CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
The InChIKey is PUELANQTCPAZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20IN3O3/c1-14(2)24(19(25)13-26-17-10-8-16(21)9-11-17)12-18-22-20(23-27-18)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 2-(4-iodophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
2-(4-iodophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide has a molecular weight of 477.30 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 30155241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).