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

C21H12BrN3O3 — CID 1256505

IUPACN-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1cc2ccccc2o1
InChIInChI=1S/C21H12BrN3O3/c22-14-7-13(10-23-11-14)21-25-16-9-15(5-6-18(16)28-21)24-20(26)19-8-12-3-1-2-4-17(12)27-19/h1-11H,(H,24,26)
InChIKeyUSJSVGRPJNGCND-UHFFFAOYSA-N
MW434.25 g/mol
LogP5.65
Rot. Bonds3

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

N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide (PubChem CID 1256505) has the molecular formula C21H12BrN3O3 and a molecular weight of 434.25 g/mol. Its IUPAC name is N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide
PubChem CID1256505
Molecular FormulaC21H12BrN3O3
Molecular Weight434.25 g/mol
Exact Mass433.01
IUPAC NameN-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1cc2ccccc2o1
InChIInChI=1S/C21H12BrN3O3/c22-14-7-13(10-23-11-14)21-25-16-9-15(5-6-18(16)28-21)24-20(26)19-8-12-3-1-2-4-17(12)27-19/h1-11H,(H,24,26)
InChIKeyUSJSVGRPJNGCND-UHFFFAOYSA-N
XLogP5.65
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.25
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]furan-2-carboxamide
CID 3736722
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]-2-iodobenzamide
CID 3875372
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide
CID 1422331
N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide
CID 17163340
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide
CID 1397296
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 17117249
N-[[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 5208637
N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 1340360
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-4-ethoxybenzamide
CID 3804335
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-5-chloro-2-methoxybenzamide
CID 1395588

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide (CID 1256505) is N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide is O=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide?
The InChIKey is USJSVGRPJNGCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12BrN3O3/c22-14-7-13(10-23-11-14)21-25-16-9-15(5-6-18(16)28-21)24-20(26)19-8-12-3-1-2-4-17(12)27-19/h1-11H,(H,24,26).
What are the key properties of N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide?
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide has a molecular weight of 434.25 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1256505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).