N-[2-(4-bromobenzoyl)-7-methoxy-1-benzofuran-3-yl]-5-ethyl-1,2-oxazole-4-carboxamide

C22H17BrN2O5 — CID 69070515

IUPACN-[2-(4-bromobenzoyl)-7-methoxy-1-benzofuran-3-yl]-5-ethyl-1,2-oxazole-4-carboxamide
SMILESCCc1oncc1C(=O)Nc1c(C(=O)c2ccc(Br)cc2)oc2c(OC)cccc12
InChIInChI=1S/C22H17BrN2O5/c1-3-16-15(11-24-30-16)22(27)25-18-14-5-4-6-17(28-2)20(14)29-21(18)19(26)12-7-9-13(23)10-8-12/h4-11H,3H2,1-2H3,(H,25,27)
InChIKeyREQTYWDBRJVQDN-UHFFFAOYSA-N
MW469.29 g/mol
LogP5.24
Rot. Bonds6

About N-[2-(4-bromobenzoyl)-7-methoxy-1-benzofuran-3-yl]-5-ethyl-1,2-oxazole-4-carboxamide

N-[2-(4-bromobenzoyl)-7-methoxy-1-benzofuran-3-yl]-5-ethyl-1,2-oxazole-4-carboxamide (PubChem CID 69070515) has the molecular formula C22H17BrN2O5 and a molecular weight of 469.29 g/mol. Its IUPAC name is N-[2-(4-bromobenzoyl)-7-methoxy-1-benzofuran-3-yl]-5-ethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromobenzoyl)-7-methoxy-1-benzofuran-3-yl]-5-ethyl-1,2-oxazole-4-carboxamide
PubChem CID69070515
Molecular FormulaC22H17BrN2O5
Molecular Weight469.29 g/mol
Exact Mass468.03
IUPAC NameN-[2-(4-bromobenzoyl)-7-methoxy-1-benzofuran-3-yl]-5-ethyl-1,2-oxazole-4-carboxamide
SMILESCCc1oncc1C(=O)Nc1c(C(=O)c2ccc(Br)cc2)oc2c(OC)cccc12
InChIInChI=1S/C22H17BrN2O5/c1-3-16-15(11-24-30-16)22(27)25-18-14-5-4-6-17(28-2)20(14)29-21(18)19(26)12-7-9-13(23)10-8-12/h4-11H,3H2,1-2H3,(H,25,27)
InChIKeyREQTYWDBRJVQDN-UHFFFAOYSA-N
XLogP5.24
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.29
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,7-dimethoxy-1-benzofuran-2-carbohydrazide
CID 57464190
[2-[[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate
CID 18883737
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289356
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)butanamide
CID 4550799
2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18847905
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
CID 4092513
[2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate
CID 18883704
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide
CID 18848193
methyl 3-hydroxy-7-methoxy-1-benzofuran-2-carboxylate
CID 54676990
(3-amino-7-methoxy-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone
CID 10499923
N-(5-bromo-2-pyridinyl)-2,3-dimethoxybenzamide
CID 23931504
ethyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate
CID 118737778

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromobenzoyl)-7-methoxy-1-benzofuran-3-yl]-5-ethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(4-bromobenzoyl)-7-methoxy-1-benzofuran-3-yl]-5-ethyl-1,2-oxazole-4-carboxamide (CID 69070515) is N-[2-(4-bromobenzoyl)-7-methoxy-1-benzofuran-3-yl]-5-ethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-bromobenzoyl)-7-methoxy-1-benzofuran-3-yl]-5-ethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(4-bromobenzoyl)-7-methoxy-1-benzofuran-3-yl]-5-ethyl-1,2-oxazole-4-carboxamide is CCc1oncc1C(=O)Nc1c(C(=O)c2ccc(Br)cc2)oc2c(OC)cccc12.
What is the InChIKey of N-[2-(4-bromobenzoyl)-7-methoxy-1-benzofuran-3-yl]-5-ethyl-1,2-oxazole-4-carboxamide?
The InChIKey is REQTYWDBRJVQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2O5/c1-3-16-15(11-24-30-16)22(27)25-18-14-5-4-6-17(28-2)20(14)29-21(18)19(26)12-7-9-13(23)10-8-12/h4-11H,3H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(4-bromobenzoyl)-7-methoxy-1-benzofuran-3-yl]-5-ethyl-1,2-oxazole-4-carboxamide?
N-[2-(4-bromobenzoyl)-7-methoxy-1-benzofuran-3-yl]-5-ethyl-1,2-oxazole-4-carboxamide has a molecular weight of 469.29 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromobenzoyl)-7-methoxy-1-benzofuran-3-yl]-5-ethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 69070515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).