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

C24H18BrClN2O2 — CID 133150118

IUPAC2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-chlorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C24H18BrClN2O2/c1-15(16-8-12-19(26)13-9-16)28-23(29)20-4-2-3-5-21(20)24-27-14-22(30-24)17-6-10-18(25)11-7-17/h2-15H,1H3,(H,28,29)
InChIKeyMCJVNCIESGQSER-UHFFFAOYSA-N
MW481.78 g/mol
LogP6.92
Rot. Bonds5

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

2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-chlorophenyl)ethyl]benzamide (PubChem CID 133150118) has the molecular formula C24H18BrClN2O2 and a molecular weight of 481.78 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-chlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-chlorophenyl)ethyl]benzamide
PubChem CID133150118
Molecular FormulaC24H18BrClN2O2
Molecular Weight481.78 g/mol
Exact Mass480.02
IUPAC Name2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-chlorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C24H18BrClN2O2/c1-15(16-8-12-19(26)13-9-16)28-23(29)20-4-2-3-5-21(20)24-27-14-22(30-24)17-6-10-18(25)11-7-17/h2-15H,1H3,(H,28,29)
InChIKeyMCJVNCIESGQSER-UHFFFAOYSA-N
XLogP6.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.78
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 133150119
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-butan-2-yl]benzamide
CID 100508690
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100510062
2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-phenylethyl)benzamide
CID 133150074
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide
CID 133150117
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 100510298
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide
CID 100510051
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide
CID 100512478
N-butan-2-yl-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 133150056
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide
CID 100509056
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide
CID 100511057
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide
CID 100512790

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-chlorophenyl)ethyl]benzamide?
The IUPAC name of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-chlorophenyl)ethyl]benzamide (CID 133150118) is 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-chlorophenyl)ethyl]benzamide.
What is the SMILES notation for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-chlorophenyl)ethyl]benzamide?
The canonical SMILES for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-chlorophenyl)ethyl]benzamide is CC(NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-chlorophenyl)ethyl]benzamide?
The InChIKey is MCJVNCIESGQSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrClN2O2/c1-15(16-8-12-19(26)13-9-16)28-23(29)20-4-2-3-5-21(20)24-27-14-22(30-24)17-6-10-18(25)11-7-17/h2-15H,1H3,(H,28,29).
What are the key properties of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-chlorophenyl)ethyl]benzamide?
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-chlorophenyl)ethyl]benzamide has a molecular weight of 481.78 g/mol, XLogP of 6.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-chlorophenyl)ethyl]benzamide is sourced from PubChem (CID 133150118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).