2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

C22H17IN2O4 — CID 15993120

IUPAC2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)COc4ccc(I)cc4)ccc3o2)cc1
InChIInChI=1S/C22H17IN2O4/c1-27-17-7-2-14(3-8-17)22-25-19-12-16(6-11-20(19)29-22)24-21(26)13-28-18-9-4-15(23)5-10-18/h2-12H,13H2,1H3,(H,24,26)
InChIKeyZNCLXLWHCQOTTO-UHFFFAOYSA-N
MW500.29 g/mol
LogP5.13
Rot. Bonds6

About 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide (PubChem CID 15993120) has the molecular formula C22H17IN2O4 and a molecular weight of 500.29 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
PubChem CID15993120
Molecular FormulaC22H17IN2O4
Molecular Weight500.29 g/mol
Exact Mass500.02
IUPAC Name2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)COc4ccc(I)cc4)ccc3o2)cc1
InChIInChI=1S/C22H17IN2O4/c1-27-17-7-2-14(3-8-17)22-25-19-12-16(6-11-20(19)29-22)24-21(26)13-28-18-9-4-15(23)5-10-18/h2-12H,13H2,1H3,(H,24,26)
InChIKeyZNCLXLWHCQOTTO-UHFFFAOYSA-N
XLogP5.13
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.29
LogP ≤ 55.13
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

N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 1336278
2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092669
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide
CID 4679023
2-(4-cyclohexylphenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17110910
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
CID 17092656
2-(2-fluorophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 29246489
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
CID 17128537
2-(4-bromophenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 5241506
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1146260
2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 15994049
2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092662
2-(4-ethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1323526

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The IUPAC name of 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide (CID 15993120) is 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The canonical SMILES for 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide is COc1ccc(-c2nc3cc(NC(=O)COc4ccc(I)cc4)ccc3o2)cc1.
What is the InChIKey of 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The InChIKey is ZNCLXLWHCQOTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17IN2O4/c1-27-17-7-2-14(3-8-17)22-25-19-12-16(6-11-20(19)29-22)24-21(26)13-28-18-9-4-15(23)5-10-18/h2-12H,13H2,1H3,(H,24,26).
What are the key properties of 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 500.29 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 15993120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).