2-ethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide

C22H17IN2O3 — CID 86768124

IUPAC2-ethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(I)cc3)nc2c1
InChIInChI=1S/C22H17IN2O3/c1-2-27-19-6-4-3-5-17(19)21(26)24-16-11-12-20-18(13-16)25-22(28-20)14-7-9-15(23)10-8-14/h3-13H,2H2,1H3,(H,24,26)
InChIKeyBJHIIMBGAOGDDH-UHFFFAOYSA-N
MW484.29 g/mol
LogP5.75
Rot. Bonds5

About 2-ethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide

2-ethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 86768124) has the molecular formula C22H17IN2O3 and a molecular weight of 484.29 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID86768124
Molecular FormulaC22H17IN2O3
Molecular Weight484.29 g/mol
Exact Mass484.03
IUPAC Name2-ethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(I)cc3)nc2c1
InChIInChI=1S/C22H17IN2O3/c1-2-27-19-6-4-3-5-17(19)21(26)24-16-11-12-20-18(13-16)25-22(28-20)14-7-9-15(23)10-8-14/h3-13H,2H2,1H3,(H,24,26)
InChIKeyBJHIIMBGAOGDDH-UHFFFAOYSA-N
XLogP5.75
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.29
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-triethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23742080
2-ethoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]benzamide
CID 9320899
2-ethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401841
2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127516
3,4,5-triethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1497034
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 801337
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 1049579
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide
CID 2840256
N-[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide
CID 1363321
2-chloro-N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]benzamide
CID 22777282
2-chloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 91683535
2-chloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
CID 3112274

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide (CID 86768124) is 2-ethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide is CCOc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(I)cc3)nc2c1.
What is the InChIKey of 2-ethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is BJHIIMBGAOGDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17IN2O3/c1-2-27-19-6-4-3-5-17(19)21(26)24-16-11-12-20-18(13-16)25-22(28-20)14-7-9-15(23)10-8-14/h3-13H,2H2,1H3,(H,24,26).
What are the key properties of 2-ethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide?
2-ethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 484.29 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 86768124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).