4-bromo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-benzofuran-2-carboxamide

C16H9BrN2O4 — CID 112522723

IUPAC4-bromo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc2[nH]c(=O)oc12)c1cc2c(Br)cccc2o1
InChIInChI=1S/C16H9BrN2O4/c17-9-3-1-6-12-8(9)7-13(22-12)15(20)18-10-4-2-5-11-14(10)23-16(21)19-11/h1-7H,(H,18,20)(H,19,21)
InChIKeyLIYXBFKOMJIBJI-UHFFFAOYSA-N
MW373.16 g/mol
LogP3.88
Rot. Bonds2

About 4-bromo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-benzofuran-2-carboxamide

4-bromo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-benzofuran-2-carboxamide (PubChem CID 112522723) has the molecular formula C16H9BrN2O4 and a molecular weight of 373.16 g/mol. Its IUPAC name is 4-bromo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-benzofuran-2-carboxamide
PubChem CID112522723
Molecular FormulaC16H9BrN2O4
Molecular Weight373.16 g/mol
Exact Mass371.97
IUPAC Name4-bromo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc2[nH]c(=O)oc12)c1cc2c(Br)cccc2o1
InChIInChI=1S/C16H9BrN2O4/c17-9-3-1-6-12-8(9)7-13(22-12)15(20)18-10-4-2-5-11-14(10)23-16(21)19-11/h1-7H,(H,18,20)(H,19,21)
InChIKeyLIYXBFKOMJIBJI-UHFFFAOYSA-N
XLogP3.88
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.16
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 84577804
4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529138
6-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-pyrazine-3-carboxamide
CID 112522745
5-morpholin-4-ylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-7-yl)furan-2-carboxamide
CID 112522783
6-fluoro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2H-benzotriazole-5-carboxamide
CID 167969035
4-bromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide
CID 112530743
4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529086
N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-indole-7-carboxamide
CID 112522853
4-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide
CID 112525549
1-(4-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea
CID 110350578
3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide
CID 112522725
4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide
CID 84577585

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-benzofuran-2-carboxamide (CID 112522723) is 4-bromo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-benzofuran-2-carboxamide is O=C(Nc1cccc2[nH]c(=O)oc12)c1cc2c(Br)cccc2o1.
What is the InChIKey of 4-bromo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-benzofuran-2-carboxamide?
The InChIKey is LIYXBFKOMJIBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrN2O4/c17-9-3-1-6-12-8(9)7-13(22-12)15(20)18-10-4-2-5-11-14(10)23-16(21)19-11/h1-7H,(H,18,20)(H,19,21).
What are the key properties of 4-bromo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-benzofuran-2-carboxamide?
4-bromo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-benzofuran-2-carboxamide has a molecular weight of 373.16 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 112522723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).