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

C13H11F4N3O — CID 62136875

IUPACN-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESFc1ccc(-c2nnc(CNC3CC3)o2)cc1C(F)(F)F
InChIInChI=1S/C13H11F4N3O/c14-10-4-1-7(5-9(10)13(15,16)17)12-20-19-11(21-12)6-18-8-2-3-8/h1,4-5,8,18H,2-3,6H2
InChIKeyZIKIPHYGCBPVKU-UHFFFAOYSA-N
MW301.24 g/mol
LogP3.15
Rot. Bonds4

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

N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 62136875) has the molecular formula C13H11F4N3O and a molecular weight of 301.24 g/mol. Its IUPAC name is N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID62136875
Molecular FormulaC13H11F4N3O
Molecular Weight301.24 g/mol
Exact Mass301.08
IUPAC NameN-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESFc1ccc(-c2nnc(CNC3CC3)o2)cc1C(F)(F)F
InChIInChI=1S/C13H11F4N3O/c14-10-4-1-7(5-9(10)13(15,16)17)12-20-19-11(21-12)6-18-8-2-3-8/h1,4-5,8,18H,2-3,6H2
InChIKeyZIKIPHYGCBPVKU-UHFFFAOYSA-N
XLogP3.15
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 55021274
N-[[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 63189771
3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62069880
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine
CID 2513524
N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62136870
3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62136902
N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62661640
N-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 60702922
N-[2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 55044350
N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 62139067
N-[[5-(5-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 82890496
N-[[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62138139

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 62136875) is N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is Fc1ccc(-c2nnc(CNC3CC3)o2)cc1C(F)(F)F.
What is the InChIKey of N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is ZIKIPHYGCBPVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3O/c14-10-4-1-7(5-9(10)13(15,16)17)12-20-19-11(21-12)6-18-8-2-3-8/h1,4-5,8,18H,2-3,6H2.
What are the key properties of N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 301.24 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62136875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).