2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluorobenzamide

C14H14BrFN2O2 — CID 78961269

IUPAC2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluorobenzamide
SMILESCc1noc(C)c1C(C)NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H14BrFN2O2/c1-7(13-8(2)18-20-9(13)3)17-14(19)11-5-4-10(16)6-12(11)15/h4-7H,1-3H3,(H,17,19)
InChIKeyZUSUBJNEJMZNNC-UHFFFAOYSA-N
MW341.18 g/mol
LogP3.68
Rot. Bonds3

About 2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluorobenzamide

2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluorobenzamide (PubChem CID 78961269) has the molecular formula C14H14BrFN2O2 and a molecular weight of 341.18 g/mol. Its IUPAC name is 2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluorobenzamide
PubChem CID78961269
Molecular FormulaC14H14BrFN2O2
Molecular Weight341.18 g/mol
Exact Mass340.02
IUPAC Name2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluorobenzamide
SMILESCc1noc(C)c1C(C)NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H14BrFN2O2/c1-7(13-8(2)18-20-9(13)3)17-14(19)11-5-4-10(16)6-12(11)15/h4-7H,1-3H3,(H,17,19)
InChIKeyZUSUBJNEJMZNNC-UHFFFAOYSA-N
XLogP3.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzamide
CID 79465552
2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-fluoropyridine-3-carboxamide
CID 103892535
2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 79225808
2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide
CID 103755407
3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 103842001
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-sulfanylbenzamide
CID 107032001
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluoro-3-methylbenzamide
CID 78961178
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890
2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 46579861
3-bromo-5-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 103826943
2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 51206122
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60666298

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluorobenzamide (CID 78961269) is 2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluorobenzamide is Cc1noc(C)c1C(C)NC(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluorobenzamide?
The InChIKey is ZUSUBJNEJMZNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2/c1-7(13-8(2)18-20-9(13)3)17-14(19)11-5-4-10(16)6-12(11)15/h4-7H,1-3H3,(H,17,19).
What are the key properties of 2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluorobenzamide?
2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluorobenzamide has a molecular weight of 341.18 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 78961269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).