(5-bromo-2-methoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine

C11H9BrF3N3O2 — CID 43559979

IUPAC(5-bromo-2-methoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCOc1ccc(Br)cc1C(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C11H9BrF3N3O2/c1-19-7-3-2-5(12)4-6(7)8(16)9-17-10(20-18-9)11(13,14)15/h2-4,8H,16H2,1H3
InChIKeyWTJBOKORYDPLGZ-UHFFFAOYSA-N
MW352.11 g/mol
LogP2.91
Rot. Bonds3

About (5-bromo-2-methoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine

(5-bromo-2-methoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 43559979) has the molecular formula C11H9BrF3N3O2 and a molecular weight of 352.11 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID43559979
Molecular FormulaC11H9BrF3N3O2
Molecular Weight352.11 g/mol
Exact Mass350.98
IUPAC Name(5-bromo-2-methoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCOc1ccc(Br)cc1C(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C11H9BrF3N3O2/c1-19-7-3-2-5(12)4-6(7)8(16)9-17-10(20-18-9)11(13,14)15/h2-4,8H,16H2,1H3
InChIKeyWTJBOKORYDPLGZ-UHFFFAOYSA-N
XLogP2.91
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.11
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-bromo-2-methoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine with MolForge

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Related Compounds

(3-bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 113298197
(2,4-dichlorophenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 43560027
(6-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 114937758
(S)-(5-bromo-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171240173
bromo-(5-bromo-2-methoxyphenyl)methanamine
CID 116947587
(2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559426
(5-bromo-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanamine
CID 43149051
4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline
CID 116936765
(5-bromo-2-methoxyphenyl)-methoxymethanamine
CID 116947257
(4-propan-2-yloxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 60916940
1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol
CID 61101686
(1S)-1-(5-bromo-2-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171201580

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of (5-bromo-2-methoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 43559979) is (5-bromo-2-methoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is COc1ccc(Br)cc1C(N)c1noc(C(F)(F)F)n1.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is WTJBOKORYDPLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3N3O2/c1-19-7-3-2-5(12)4-6(7)8(16)9-17-10(20-18-9)11(13,14)15/h2-4,8H,16H2,1H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
(5-bromo-2-methoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 352.11 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 43559979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).