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

C20H19BrN2O2 — CID 100509744

IUPAC2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C20H19BrN2O2/c1-3-23(4-2)20(24)17-8-6-5-7-16(17)19-22-13-18(25-19)14-9-11-15(21)12-10-14/h5-13H,3-4H2,1-2H3
InChIKeyCZTOAEDOVVAFCZ-UHFFFAOYSA-N
MW399.29 g/mol
LogP5.25
Rot. Bonds5

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

2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide (PubChem CID 100509744) has the molecular formula C20H19BrN2O2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide
PubChem CID100509744
Molecular FormulaC20H19BrN2O2
Molecular Weight399.29 g/mol
Exact Mass398.06
IUPAC Name2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C20H19BrN2O2/c1-3-23(4-2)20(24)17-8-6-5-7-16(17)19-22-13-18(25-19)14-9-11-15(21)12-10-14/h5-13H,3-4H2,1-2H3
InChIKeyCZTOAEDOVVAFCZ-UHFFFAOYSA-N
XLogP5.25
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.29
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide
CID 100513460
N-(cyclopropylmethyl)-N-ethyl-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 86939454
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-(3-methylbutyl)benzamide
CID 100510051
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100510062
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide
CID 133150117
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-methoxyphenyl)methyl]benzamide
CID 100508849
N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 134049112
ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate
CID 100509677
N-benzyl-N-(2-hydroxyethyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 78855254
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 100510298

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide?
The IUPAC name of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide (CID 100509744) is 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide.
What is the SMILES notation for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide?
The canonical SMILES for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide?
The InChIKey is CZTOAEDOVVAFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O2/c1-3-23(4-2)20(24)17-8-6-5-7-16(17)19-22-13-18(25-19)14-9-11-15(21)12-10-14/h5-13H,3-4H2,1-2H3.
What are the key properties of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide?
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide has a molecular weight of 399.29 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 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,N-diethylbenzamide is sourced from PubChem (CID 100509744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).