4-bromo-N-(1,2-oxazol-3-ylmethyl)-2-(trifluoromethyl)aniline

C11H8BrF3N2O — CID 79493309

IUPAC4-bromo-N-(1,2-oxazol-3-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Br)ccc1NCc1ccon1
InChIInChI=1S/C11H8BrF3N2O/c12-7-1-2-10(9(5-7)11(13,14)15)16-6-8-3-4-18-17-8/h1-5,16H,6H2
InChIKeyRMAWDRVJMFHOCE-UHFFFAOYSA-N
MW321.10 g/mol
LogP4.07
Rot. Bonds3

About 4-bromo-N-(1,2-oxazol-3-ylmethyl)-2-(trifluoromethyl)aniline

4-bromo-N-(1,2-oxazol-3-ylmethyl)-2-(trifluoromethyl)aniline (PubChem CID 79493309) has the molecular formula C11H8BrF3N2O and a molecular weight of 321.10 g/mol. Its IUPAC name is 4-bromo-N-(1,2-oxazol-3-ylmethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(1,2-oxazol-3-ylmethyl)-2-(trifluoromethyl)aniline
PubChem CID79493309
Molecular FormulaC11H8BrF3N2O
Molecular Weight321.10 g/mol
Exact Mass319.98
IUPAC Name4-bromo-N-(1,2-oxazol-3-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Br)ccc1NCc1ccon1
InChIInChI=1S/C11H8BrF3N2O/c12-7-1-2-10(9(5-7)11(13,14)15)16-6-8-3-4-18-17-8/h1-5,16H,6H2
InChIKeyRMAWDRVJMFHOCE-UHFFFAOYSA-N
XLogP4.07
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.10
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1,2-oxazol-3-yl)acetamide
CID 71857429
4-bromo-N-[(4-bromophenyl)methyl]-2-(trifluoromethyl)aniline
CID 60790630
4-bromo-N-(pyrimidin-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 55109677
4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 60792213
N-benzyl-4-bromo-2-(trifluoromethyl)aniline
CID 60792374
4-bromo-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)aniline
CID 59557088
4-bromo-N-[(4-iodophenyl)methyl]-2-(trifluoromethyl)aniline
CID 65477978
4-bromo-N-[(4-ethylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 60791438
4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol
CID 60790628
4-bromo-N-(4,4,4-trifluorobutyl)-2-(trifluoromethyl)aniline
CID 115513559
5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 114184328
4-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethyl)aniline
CID 65484002

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,2-oxazol-3-ylmethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N-(1,2-oxazol-3-ylmethyl)-2-(trifluoromethyl)aniline (CID 79493309) is 4-bromo-N-(1,2-oxazol-3-ylmethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N-(1,2-oxazol-3-ylmethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N-(1,2-oxazol-3-ylmethyl)-2-(trifluoromethyl)aniline is FC(F)(F)c1cc(Br)ccc1NCc1ccon1.
What is the InChIKey of 4-bromo-N-(1,2-oxazol-3-ylmethyl)-2-(trifluoromethyl)aniline?
The InChIKey is RMAWDRVJMFHOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2O/c12-7-1-2-10(9(5-7)11(13,14)15)16-6-8-3-4-18-17-8/h1-5,16H,6H2.
What are the key properties of 4-bromo-N-(1,2-oxazol-3-ylmethyl)-2-(trifluoromethyl)aniline?
4-bromo-N-(1,2-oxazol-3-ylmethyl)-2-(trifluoromethyl)aniline has a molecular weight of 321.10 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,2-oxazol-3-ylmethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 79493309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).