N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide

C19H11BrIN3O2 — CID 3875372

IUPACN-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide
SMILESO=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccccc1I
InChIInChI=1S/C19H11BrIN3O2/c20-12-7-11(9-22-10-12)19-24-16-8-13(5-6-17(16)26-19)23-18(25)14-3-1-2-4-15(14)21/h1-10H,(H,23,25)
InChIKeyFWXLQCYJIJIOTI-UHFFFAOYSA-N
MW520.12 g/mol
LogP5.51
Rot. Bonds3

About N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide

N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide (PubChem CID 3875372) has the molecular formula C19H11BrIN3O2 and a molecular weight of 520.12 g/mol. Its IUPAC name is N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide
PubChem CID3875372
Molecular FormulaC19H11BrIN3O2
Molecular Weight520.12 g/mol
Exact Mass518.91
IUPAC NameN-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide
SMILESO=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccccc1I
InChIInChI=1S/C19H11BrIN3O2/c20-12-7-11(9-22-10-12)19-24-16-8-13(5-6-17(16)26-19)23-18(25)14-3-1-2-4-15(14)21/h1-10H,(H,23,25)
InChIKeyFWXLQCYJIJIOTI-UHFFFAOYSA-N
XLogP5.51
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.12
LogP ≤ 55.51
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

N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 1397326
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide
CID 2984861
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide
CID 1422331
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide
CID 1256505
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3736722
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-5-chloro-2-methoxybenzamide
CID 1395588
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide
CID 1397296
5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 1108422
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-4-ethoxybenzamide
CID 3804335
5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 3238969
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 17117249
2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 699256

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide?
The IUPAC name of N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide (CID 3875372) is N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide.
What is the SMILES notation for N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide?
The canonical SMILES for N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide is O=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccccc1I.
What is the InChIKey of N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide?
The InChIKey is FWXLQCYJIJIOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrIN3O2/c20-12-7-11(9-22-10-12)19-24-16-8-13(5-6-17(16)26-19)23-18(25)14-3-1-2-4-15(14)21/h1-10H,(H,23,25).
What are the key properties of N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide?
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide has a molecular weight of 520.12 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide is sourced from PubChem (CID 3875372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).