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

C24H19BrN2O3 — CID 100508849

IUPAC2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C24H19BrN2O3/c1-29-19-12-6-16(7-13-19)14-26-23(28)20-4-2-3-5-21(20)24-27-15-22(30-24)17-8-10-18(25)11-9-17/h2-13,15H,14H2,1H3,(H,26,28)
InChIKeyOTDSOOLYEWCDLP-UHFFFAOYSA-N
MW463.33 g/mol
LogP5.71
Rot. Bonds6

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

2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 100508849) has the molecular formula C24H19BrN2O3 and a molecular weight of 463.33 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID100508849
Molecular FormulaC24H19BrN2O3
Molecular Weight463.33 g/mol
Exact Mass462.06
IUPAC Name2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C24H19BrN2O3/c1-29-19-12-6-16(7-13-19)14-26-23(28)20-4-2-3-5-21(20)24-27-15-22(30-24)17-8-10-18(25)11-9-17/h2-13,15H,14H2,1H3,(H,26,28)
InChIKeyOTDSOOLYEWCDLP-UHFFFAOYSA-N
XLogP5.71
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.33
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100503954
N-[(2,4-dichlorophenyl)methyl]-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502024
N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502272
N-(3-bromophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502390
N-tert-butyl-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100501904
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide
CID 100510051
N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504365
2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100503337
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-(4-phenoxyphenyl)benzamide
CID 100509537
2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-phenylethyl)benzamide
CID 133150074
N-(2-fluorophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502310

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide (CID 100508849) is 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)cc1.
What is the InChIKey of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is OTDSOOLYEWCDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN2O3/c1-29-19-12-6-16(7-13-19)14-26-23(28)20-4-2-3-5-21(20)24-27-15-22(30-24)17-8-10-18(25)11-9-17/h2-13,15H,14H2,1H3,(H,26,28).
What are the key properties of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide?
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 463.33 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 100508849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).