N-(2-ethyl-6-methylphenyl)-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide

C20H20IN3O2 — CID 100763929

IUPACN-(2-ethyl-6-methylphenyl)-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCc1cccc(C)c1NC(=O)CCc1nc(-c2ccc(I)cc2)no1
InChIInChI=1S/C20H20IN3O2/c1-3-14-6-4-5-13(2)19(14)22-17(25)11-12-18-23-20(24-26-18)15-7-9-16(21)10-8-15/h4-10H,3,11-12H2,1-2H3,(H,22,25)
InChIKeyOAFVZVFHTWAHJF-UHFFFAOYSA-N
MW461.30 g/mol
LogP4.78
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(2-ethyl-6-methylphenyl)-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 100763929) has the molecular formula C20H20IN3O2 and a molecular weight of 461.30 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID100763929
Molecular FormulaC20H20IN3O2
Molecular Weight461.30 g/mol
Exact Mass461.06
IUPAC NameN-(2-ethyl-6-methylphenyl)-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCc1cccc(C)c1NC(=O)CCc1nc(-c2ccc(I)cc2)no1
InChIInChI=1S/C20H20IN3O2/c1-3-14-6-4-5-13(2)19(14)22-17(25)11-12-18-23-20(24-26-18)15-7-9-16(21)10-8-15/h4-10H,3,11-12H2,1-2H3,(H,22,25)
InChIKeyOAFVZVFHTWAHJF-UHFFFAOYSA-N
XLogP4.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.30
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-ethyl-6-methylphenyl)-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethyl-6-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762283
N-(2,6-diethylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31078421
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 100763881
N-(4-iodophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758297
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide
CID 100764143
N-(2,6-dimethylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761441
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-pentan-2-yl]propanamide
CID 100764456
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 51098095
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
N-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851576
N-(2-ethyl-6-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356632
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 N-(2-ethyl-6-methylphenyl)-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 100763929) is N-(2-ethyl-6-methylphenyl)-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCc1cccc(C)c1NC(=O)CCc1nc(-c2ccc(I)cc2)no1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is OAFVZVFHTWAHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20IN3O2/c1-3-14-6-4-5-13(2)19(14)22-17(25)11-12-18-23-20(24-26-18)15-7-9-16(21)10-8-15/h4-10H,3,11-12H2,1-2H3,(H,22,25).
What are the key properties of N-(2-ethyl-6-methylphenyl)-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(2-ethyl-6-methylphenyl)-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 461.30 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 100763929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).