2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

C26H23BrN2O4 — CID 100510766

IUPAC2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)cc1OC
InChIInChI=1S/C26H23BrN2O4/c1-31-22-11-10-17(14-23(22)32-2)12-13-28-25(30)20-8-3-4-9-21(20)26-29-16-24(33-26)18-6-5-7-19(27)15-18/h3-11,14-16H,12-13H2,1-2H3,(H,28,30)
InChIKeyCAHZJVRVYMHHKU-UHFFFAOYSA-N
MW507.38 g/mol
LogP5.76
Rot. Bonds8

About 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (PubChem CID 100510766) has the molecular formula C26H23BrN2O4 and a molecular weight of 507.38 g/mol. Its IUPAC name is 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
PubChem CID100510766
Molecular FormulaC26H23BrN2O4
Molecular Weight507.38 g/mol
Exact Mass506.08
IUPAC Name2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)cc1OC
InChIInChI=1S/C26H23BrN2O4/c1-31-22-11-10-17(14-23(22)32-2)12-13-28-25(30)20-8-3-4-9-21(20)26-29-16-24(33-26)18-6-5-7-19(27)15-18/h3-11,14-16H,12-13H2,1-2H3,(H,28,30)
InChIKeyCAHZJVRVYMHHKU-UHFFFAOYSA-N
XLogP5.76
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.38
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504037
6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 27017500
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide
CID 133159870
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2-fluorophenyl)benzamide
CID 100510992
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 100508849
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide
CID 100511057
N-(3-bromophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502390
1-[2-(3-bromophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891452
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide
CID 100510051
2-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 110451906
N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 36704068

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (CID 100510766) is 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)cc1OC.
What is the InChIKey of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The InChIKey is CAHZJVRVYMHHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrN2O4/c1-31-22-11-10-17(14-23(22)32-2)12-13-28-25(30)20-8-3-4-9-21(20)26-29-16-24(33-26)18-6-5-7-19(27)15-18/h3-11,14-16H,12-13H2,1-2H3,(H,28,30).
What are the key properties of 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide has a molecular weight of 507.38 g/mol, XLogP of 5.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 100510766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).