4-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide

C17H11BrN2O3 — CID 112525549

IUPAC4-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc4c(Br)cccc4o3)ccc2o1
InChIInChI=1S/C17H11BrN2O3/c1-9-19-13-7-10(5-6-15(13)22-9)20-17(21)16-8-11-12(18)3-2-4-14(11)23-16/h2-8H,1H3,(H,20,21)
InChIKeyZEMKHVOJLGFMIT-UHFFFAOYSA-N
MW371.19 g/mol
LogP4.90
Rot. Bonds2

About 4-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide

4-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide (PubChem CID 112525549) has the molecular formula C17H11BrN2O3 and a molecular weight of 371.19 g/mol. Its IUPAC name is 4-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide
PubChem CID112525549
Molecular FormulaC17H11BrN2O3
Molecular Weight371.19 g/mol
Exact Mass370.00
IUPAC Name4-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc4c(Br)cccc4o3)ccc2o1
InChIInChI=1S/C17H11BrN2O3/c1-9-19-13-7-10(5-6-15(13)22-9)20-17(21)16-8-11-12(18)3-2-4-14(11)23-16/h2-8H,1H3,(H,20,21)
InChIKeyZEMKHVOJLGFMIT-UHFFFAOYSA-N
XLogP4.90
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 84577804
2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 62059208
5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34749993
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
4-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-indole-2-carboxamide
CID 36805707
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736
5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625344
5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 61292124
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide
CID 34303593
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide (CID 112525549) is 4-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide is Cc1nc2cc(NC(=O)c3cc4c(Br)cccc4o3)ccc2o1.
What is the InChIKey of 4-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide?
The InChIKey is ZEMKHVOJLGFMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2O3/c1-9-19-13-7-10(5-6-15(13)22-9)20-17(21)16-8-11-12(18)3-2-4-14(11)23-16/h2-8H,1H3,(H,20,21).
What are the key properties of 4-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide?
4-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide has a molecular weight of 371.19 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 112525549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).