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

C24H19BrN2O2 — CID 100509056

IUPAC2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)cc1C
InChIInChI=1S/C24H19BrN2O2/c1-15-7-12-19(13-16(15)2)27-23(28)20-5-3-4-6-21(20)24-26-14-22(29-24)17-8-10-18(25)11-9-17/h3-14H,1-2H3,(H,27,28)
InChIKeyPVVXADJAFYOZHH-UHFFFAOYSA-N
MW447.33 g/mol
LogP6.64
Rot. Bonds4

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

2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide (PubChem CID 100509056) has the molecular formula C24H19BrN2O2 and a molecular weight of 447.33 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide
PubChem CID100509056
Molecular FormulaC24H19BrN2O2
Molecular Weight447.33 g/mol
Exact Mass446.06
IUPAC Name2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)cc1C
InChIInChI=1S/C24H19BrN2O2/c1-15-7-12-19(13-16(15)2)27-23(28)20-5-3-4-6-21(20)24-26-14-22(29-24)17-8-10-18(25)11-9-17/h3-14H,1-2H3,(H,27,28)
InChIKeyPVVXADJAFYOZHH-UHFFFAOYSA-N
XLogP6.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.33
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide
CID 100512790
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3-fluorophenyl)benzamide
CID 100509139
ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate
CID 100509677
N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504365
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(4-phenoxyphenyl)benzamide
CID 100509537
N-(3-bromophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502390
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide
CID 100510051
2-chloro-N-methyl-5-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]benzamide
CID 55836034
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide
CID 100511057
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-3-nitrophenyl)benzamide
CID 100510182
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-butan-2-yl]benzamide
CID 100508690
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 36704097

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide?
The IUPAC name of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide (CID 100509056) is 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide.
What is the SMILES notation for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide?
The canonical SMILES for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)cc1C.
What is the InChIKey of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide?
The InChIKey is PVVXADJAFYOZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN2O2/c1-15-7-12-19(13-16(15)2)27-23(28)20-5-3-4-6-21(20)24-26-14-22(29-24)17-8-10-18(25)11-9-17/h3-14H,1-2H3,(H,27,28).
What are the key properties of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide?
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide has a molecular weight of 447.33 g/mol, XLogP of 6.64, 4 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-(3,4-dimethylphenyl)benzamide is sourced from PubChem (CID 100509056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).