N-methyl-1-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine

C11H12F3N3O — CID 139473622

IUPACN-methyl-1-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine
SMILESCNCc1ccc(C2=NC(C(F)(F)F)ON2)cc1
InChIInChI=1S/C11H12F3N3O/c1-15-6-7-2-4-8(5-3-7)9-16-10(18-17-9)11(12,13)14/h2-5,10,15H,6H2,1H3,(H,16,17)
InChIKeyWSTYOLZMFJGYAW-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.58
Rot. Bonds3

About N-methyl-1-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine

N-methyl-1-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine (PubChem CID 139473622) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is N-methyl-1-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine
PubChem CID139473622
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC NameN-methyl-1-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine
SMILESCNCc1ccc(C2=NC(C(F)(F)F)ON2)cc1
InChIInChI=1S/C11H12F3N3O/c1-15-6-7-2-4-8(5-3-7)9-16-10(18-17-9)11(12,13)14/h2-5,10,15H,6H2,1H3,(H,16,17)
InChIKeyWSTYOLZMFJGYAW-UHFFFAOYSA-N
XLogP1.58
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(Trifluoromethyl)phenyl]-1-imidazoline
CID 11241345
4-trifluoromethyl-N'-methylbenzimidamide-N'-oxide
CID 129766591
N'-propyl-4-(trifluoromethyl)benzenecarboximidamide
CID 154723292
5-Isopropyl-3-phenyl-4,5-dihydro-1,2,4-oxadiazole
CID 10845363
N,N'-dimethyl-4-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 21520420
N,N'-dimethyl-4-(trifluoromethyl)benzenecarboximidamide
CID 21520421
4-(aminomethyl)-3-fluoro-N'-propoxybenzenecarboximidamide
CID 22985353
[4-[5,5-bis(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 57444855
3-[4-(azidomethyl)phenyl]-5,5-bis(trifluoromethyl)-2H-1,2,4-oxadiazole
CID 57487797
[4-[5-methyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 57487799
4-(aminomethyl)-3-fluoro-N'-propoxybenzenecarboximidamide
CID 59048417
4-(aminomethyl)-3-fluoro-N'-propoxybenzenecarboximidamide
CID 74014171

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine (CID 139473622) is N-methyl-1-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine is CNCc1ccc(C2=NC(C(F)(F)F)ON2)cc1.
What is the InChIKey of N-methyl-1-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The InChIKey is WSTYOLZMFJGYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c1-15-6-7-2-4-8(5-3-7)9-16-10(18-17-9)11(12,13)14/h2-5,10,15H,6H2,1H3,(H,16,17).
What are the key properties of N-methyl-1-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
N-methyl-1-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine has a molecular weight of 259.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine is sourced from PubChem (CID 139473622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).