ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate

C25H19BrN2O4 — CID 100509677

IUPACethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C25H19BrN2O4/c1-2-31-25(30)17-9-13-19(14-10-17)28-23(29)20-5-3-4-6-21(20)24-27-15-22(32-24)16-7-11-18(26)12-8-16/h3-15H,2H2,1H3,(H,28,29)
InChIKeyFDFIHXZKSSYDGW-UHFFFAOYSA-N
MW491.34 g/mol
LogP6.20
Rot. Bonds6

About ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate

ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate (PubChem CID 100509677) has the molecular formula C25H19BrN2O4 and a molecular weight of 491.34 g/mol. Its IUPAC name is ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate
PubChem CID100509677
Molecular FormulaC25H19BrN2O4
Molecular Weight491.34 g/mol
Exact Mass490.05
IUPAC Nameethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C25H19BrN2O4/c1-2-31-25(30)17-9-13-19(14-10-17)28-23(29)20-5-3-4-6-21(20)24-27-15-22(32-24)16-7-11-18(26)12-8-16/h3-15H,2H2,1H3,(H,28,29)
InChIKeyFDFIHXZKSSYDGW-UHFFFAOYSA-N
XLogP6.20
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.34
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate with MolForge

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Related Compounds

N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504365
butyl 4-[[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate
CID 100506456
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide
CID 100509056
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(4-phenoxyphenyl)benzamide
CID 100509537
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 100504090
N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502272
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
CID 100504854
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 100504594
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3-fluorophenyl)benzamide
CID 100509139
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-butan-2-yl]benzamide
CID 100508690
N-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504867
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxyphenyl)benzamide
CID 36703629

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate (CID 100509677) is ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)cc1.
What is the InChIKey of ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate?
The InChIKey is FDFIHXZKSSYDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrN2O4/c1-2-31-25(30)17-9-13-19(14-10-17)28-23(29)20-5-3-4-6-21(20)24-27-15-22(32-24)16-7-11-18(26)12-8-16/h3-15H,2H2,1H3,(H,28,29).
What are the key properties of ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate?
ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate has a molecular weight of 491.34 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate is sourced from PubChem (CID 100509677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).