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

C16H10BrF3N2O — CID 138682511

IUPAC4-bromo-2-(1,3-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline
SMILESFC(F)(F)c1ccc(Nc2ccc(Br)cc2-c2cocn2)cc1
InChIInChI=1S/C16H10BrF3N2O/c17-11-3-6-14(13(7-11)15-8-23-9-21-15)22-12-4-1-10(2-5-12)16(18,19)20/h1-9,22H
InChIKeyUSRJPKNLEOMMGF-UHFFFAOYSA-N
MW383.17 g/mol
LogP5.87
Rot. Bonds3

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

4-bromo-2-(1,3-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 138682511) has the molecular formula C16H10BrF3N2O and a molecular weight of 383.17 g/mol. Its IUPAC name is 4-bromo-2-(1,3-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name4-bromo-2-(1,3-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID138682511
Molecular FormulaC16H10BrF3N2O
Molecular Weight383.17 g/mol
Exact Mass381.99
IUPAC Name4-bromo-2-(1,3-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline
SMILESFC(F)(F)c1ccc(Nc2ccc(Br)cc2-c2cocn2)cc1
InChIInChI=1S/C16H10BrF3N2O/c17-11-3-6-14(13(7-11)15-8-23-9-21-15)22-12-4-1-10(2-5-12)16(18,19)20/h1-9,22H
InChIKeyUSRJPKNLEOMMGF-UHFFFAOYSA-N
XLogP5.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.17
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1,3-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 4-bromo-2-(1,3-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline (CID 138682511) is 4-bromo-2-(1,3-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 4-bromo-2-(1,3-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 4-bromo-2-(1,3-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline is FC(F)(F)c1ccc(Nc2ccc(Br)cc2-c2cocn2)cc1.
What is the InChIKey of 4-bromo-2-(1,3-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is USRJPKNLEOMMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3N2O/c17-11-3-6-14(13(7-11)15-8-23-9-21-15)22-12-4-1-10(2-5-12)16(18,19)20/h1-9,22H.
What are the key properties of 4-bromo-2-(1,3-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
4-bromo-2-(1,3-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 383.17 g/mol, XLogP of 5.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1,3-oxazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 138682511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).