N-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1,2-oxazol-3-yl)acetamide

C12H8BrF3N2O2 — CID 71857429

IUPACN-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1,2-oxazol-3-yl)acetamide
SMILESO=C(Cc1ccon1)Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H8BrF3N2O2/c13-7-1-2-10(9(5-7)12(14,15)16)17-11(19)6-8-3-4-20-18-8/h1-5H,6H2,(H,17,19)
InChIKeyMBQJYBIGVBAOLT-UHFFFAOYSA-N
MW349.11 g/mol
LogP3.64
Rot. Bonds3

About N-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1,2-oxazol-3-yl)acetamide

N-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1,2-oxazol-3-yl)acetamide (PubChem CID 71857429) has the molecular formula C12H8BrF3N2O2 and a molecular weight of 349.11 g/mol. Its IUPAC name is N-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1,2-oxazol-3-yl)acetamide
PubChem CID71857429
Molecular FormulaC12H8BrF3N2O2
Molecular Weight349.11 g/mol
Exact Mass347.97
IUPAC NameN-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1,2-oxazol-3-yl)acetamide
SMILESO=C(Cc1ccon1)Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H8BrF3N2O2/c13-7-1-2-10(9(5-7)12(14,15)16)17-11(19)6-8-3-4-20-18-8/h1-5H,6H2,(H,17,19)
InChIKeyMBQJYBIGVBAOLT-UHFFFAOYSA-N
XLogP3.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.11
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(1,2-oxazol-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 79493309
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
CID 64590919
N-(2-fluorophenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110858552
2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid
CID 65484378
N-(5-bromo-4-oxo-1H-pyridin-3-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 75393708
N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide
CID 60851337
N-[4-[[2-(4-bromophenyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062040
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-ethylurea
CID 113225657
2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide
CID 60790791
N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103515406
N-(2-chlorophenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110858749

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1,2-oxazol-3-yl)acetamide (CID 71857429) is N-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1,2-oxazol-3-yl)acetamide is O=C(Cc1ccon1)Nc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of N-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1,2-oxazol-3-yl)acetamide?
The InChIKey is MBQJYBIGVBAOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2O2/c13-7-1-2-10(9(5-7)12(14,15)16)17-11(19)6-8-3-4-20-18-8/h1-5H,6H2,(H,17,19).
What are the key properties of N-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1,2-oxazol-3-yl)acetamide?
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1,2-oxazol-3-yl)acetamide has a molecular weight of 349.11 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 71857429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).