5-(2-bromophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

C15H9BrF3N3O — CID 59152546

IUPAC5-(2-bromophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)c1cccc(Nc2nnc(-c3ccccc3Br)o2)c1
InChIInChI=1S/C15H9BrF3N3O/c16-12-7-2-1-6-11(12)13-21-22-14(23-13)20-10-5-3-4-9(8-10)15(17,18)19/h1-8H,(H,20,22)
InChIKeyRKGRWSZOIFMZMW-UHFFFAOYSA-N
MW384.16 g/mol
LogP5.26
Rot. Bonds3

About 5-(2-bromophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

5-(2-bromophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 59152546) has the molecular formula C15H9BrF3N3O and a molecular weight of 384.16 g/mol. Its IUPAC name is 5-(2-bromophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-bromophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID59152546
Molecular FormulaC15H9BrF3N3O
Molecular Weight384.16 g/mol
Exact Mass382.99
IUPAC Name5-(2-bromophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)c1cccc(Nc2nnc(-c3ccccc3Br)o2)c1
InChIInChI=1S/C15H9BrF3N3O/c16-12-7-2-1-6-11(12)13-21-22-14(23-13)20-10-5-3-4-9(8-10)15(17,18)19/h1-8H,(H,20,22)
InChIKeyRKGRWSZOIFMZMW-UHFFFAOYSA-N
XLogP5.26
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.16
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(3-pyridin-4-ylprop-1-en-2-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 89127762
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1115849
5-[3-(2-pyridin-4-ylethyl)-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644859
5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106966399
2-[2-bromo-5-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole
CID 114771658
5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 118135615
5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391322
5-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 110456556
5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 11463599
N,5-diphenyl-1,3,4-oxadiazol-2-amine
CID 12616884
2-(2-bromophenyl)-5-(trifluoromethyl)-1,3-oxazole
CID 141173140
2-(2-bromophenyl)-5-tert-butyl-1,3,4-oxadiazole
CID 55028952

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-bromophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (CID 59152546) is 5-(2-bromophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-bromophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-bromophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is FC(F)(F)c1cccc(Nc2nnc(-c3ccccc3Br)o2)c1.
What is the InChIKey of 5-(2-bromophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is RKGRWSZOIFMZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF3N3O/c16-12-7-2-1-6-11(12)13-21-22-14(23-13)20-10-5-3-4-9(8-10)15(17,18)19/h1-8H,(H,20,22).
What are the key properties of 5-(2-bromophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
5-(2-bromophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 384.16 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 59152546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).