2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide

C17H15IN2O2 — CID 108794539

IUPAC2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide
SMILESCc1cc(C)c2onc(CC(=O)Nc3ccccc3I)c2c1
InChIInChI=1S/C17H15IN2O2/c1-10-7-11(2)17-12(8-10)15(20-22-17)9-16(21)19-14-6-4-3-5-13(14)18/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyRTZVNZNCMRFVIS-UHFFFAOYSA-N
MW406.22 g/mol
LogP4.23
Rot. Bonds3

About 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide

2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide (PubChem CID 108794539) has the molecular formula C17H15IN2O2 and a molecular weight of 406.22 g/mol. Its IUPAC name is 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide
PubChem CID108794539
Molecular FormulaC17H15IN2O2
Molecular Weight406.22 g/mol
Exact Mass406.02
IUPAC Name2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide
SMILESCc1cc(C)c2onc(CC(=O)Nc3ccccc3I)c2c1
InChIInChI=1S/C17H15IN2O2/c1-10-7-11(2)17-12(8-10)15(20-22-17)9-16(21)19-14-6-4-3-5-13(14)18/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyRTZVNZNCMRFVIS-UHFFFAOYSA-N
XLogP4.23
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.22
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide 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

2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 108806164
2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]-5-methylbenzoic acid
CID 108806265
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 108806118
N-(4-bromophenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794442
N-(4-acetylphenyl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806192
3-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoic acid
CID 108794443
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)acetamide
CID 108806273
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]acetamide
CID 108744683
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2-methylphenyl)acetamide
CID 22519860
N-[4-(benzylsulfamoyl)phenyl]-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806213
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 108794494
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806231

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide (CID 108794539) is 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide is Cc1cc(C)c2onc(CC(=O)Nc3ccccc3I)c2c1.
What is the InChIKey of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide?
The InChIKey is RTZVNZNCMRFVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2O2/c1-10-7-11(2)17-12(8-10)15(20-22-17)9-16(21)19-14-6-4-3-5-13(14)18/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide?
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide has a molecular weight of 406.22 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 108794539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).